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  Psychoactive Plant Database - Neuroactive Phytochemical Collection





Worldwide, there are plants known as psychoactive plants that naturally contain psychedelic active components. They have a high concentration of neuroprotective substances that can interact with the nervous system to produce psychedelic effects. Despite these plants' hazardous potential, recreational use of them is on the rise because of their psychoactive properties. Early neuroscience studies relied heavily on psychoactive plants and plant natural products (NPs), and both recreational and hazardous NPs have contributed significantly to the understanding of almost all neurotransmitter systems. Worldwide, there are many plants that contain psychoactive properties, and people have been using them for ages. Psychoactive plant compounds may significantly alter how people perceive the world.

 

Compound Summary

 

PLANT NAME:- Brunfelsia grandiflora     PPD ID:- PPD-ID42_7


COMPOUND/COMMON NAME:- 3-o-caffeoylquinic acid
CAS ID
N/A
INCHI KEY
CWVRJTMFETXNAD-JUHZACGLSA-N
MOLECULAR WEIGHT
354.31
MOLECULAR FORMULA
C16H18O9
MOLECULAR MASS
354.311
BIOLOGICAL SOURCE
Brunfelsia grandiflora
DATA SOURCE
Afendi, F. M., Okada, T., Yamazaki, M., Hirai-Morita, A., Nakamura, Y., Nakamura, K., Ikeda, S., Takahashi, H., Altaf-Ul-Amin, M., Darusman, L. K., Saito, K., & Kanaya, S. (2012). KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research. Plant & cell physiology, 53(2), e1. https://doi.org/10.1093/pcp/pcr165
CHEMICAL CLASS OF COMPOUND
Organooxygen compounds
NLRP3 DOCKING SCORE(Kcal/mol)
-8.6
CANONICAL SMILES   O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
BIOACTIVITY REPORTED FOR NEURODEGENERATIVE DISEASES   No
SYNONYMS
CHLOROGENIC ACID, 327-97-9, 3-O-Caffeoylquinic acid, Chlorogenate, Heriguard, 3-(3,4-Dihydroxycinnamoyl)quinic acid, 3-Caffeoylquinic acid, Hlorogenic acid, trans-Chlorogenic acid, CP chlorogenic acid, Caffeoyl quinic acid, Chlorogenicacid, 5-CQA, (+)-Chlorogenic acid, NSC-407296, CCRIS 1400, Chlorogenic acid [MI], 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid, trans-Caffeic acid 5-o-D-quinate, 202650-88-2, EINECS 206-325-6, Chlorogenic acid [WHO-DD], UNII-318ADP12RI, MFCD00003862, NSC 70861, NSC-70861, NSC 407296, 318ADP12RI, (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid, CHEBI:16112, trans-5-O-Caffeoylquinic acid, CHEMBL284616, DTXCID604786, Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1-alpha,3-beta,4-alpha,5-alpha))-, DTXSID3024786, 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate), (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 3-(((2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-, Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S,3R,4R,5R)-, Chlorogenic acid (constituent of st. john's wort) [DSC], 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid, (1S,3R,4R,5R)-3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid, Cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1S-(1alpha,3beta,4alpha,5alpha))-, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-, CHLOROGENIC ACID (USP-RS), CHLOROGENIC ACID [USP-RS], Chlorogenic acid hemihydrate, 3-O-caffeoyl-D-quinic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate, 3-Caffeoylquinate, Acid, Chlorogenic, 3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid, (1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid, [1S-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, cyclohexanecarboxylic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-, Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1alpha,3beta,4alpha,5alpha)]-, 5-O-Caffeoylquinic acid, 3 Caffeoylquinic Acid, Acid, 3-Caffeoylquinic, 3-trans-Caffeoylquinic acid, Hlorogenate, NSC70861, Chlorogenic-acid, NSC407296, Chlorogenic acid,, (1S-(1alpha,3beta,4alpha,5alpha))3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylic acid, 3-(3,4-Dihydroxycinnamoyl)quinate, CAS-327-97-9, edit(1S,3R,4R,5R)-3-(((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid, edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid, Prestwick_112, (E)-chlorogenic acid, 5-caffeoyl quinic acid, Chlorogenic Acid1510, Chlorogenic acid, Chiral, Chlorogenic acid (8CI), Prestwick2_000427, Prestwick3_000427, Spectrum5_000733, bmse000387, Quinic acid, 5-caffeoyl-, SCHEMBL19466, BSPBio_000414, BSPBio_003353, SPECTRUM210800, MLS002153805, BIDD:ER0453, BPBio1_000456, Quinic acid, 3-caffeoyl-, E-, ACon1_000581, CHEBI:95271, GTPL12477, BDBM513080, DTXSID101318952, HMS1569E16, HMS1923C11, HMS2096E16, HMS2235F03, HMS3649E06, ALBB-030169, HY-N0055, Tox21_202495, BDBM50327036, CCG-38471, s2280, AKOS015955866, AC-6032, Chlorogenic acid, >=95% (titration), CS-3766, DB12029, SDCCGMLS-0066467.P001, NCGC00168941-01, NCGC00168941-02, NCGC00168941-03, NCGC00168941-05, NCGC00260044-01, (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID, (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylicacid, 1ST40089, AS-12284, Cyclohexanecarboxylic acid,3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-,(1S,3R,4R,5R)-, SMR000857273, Chlorogenic acid 1000 microg/mL in Acetone, NS00015066, Chlorogenic acid 10 microg/mL in Acetonitrile, C00852, F16266, Chlorogenic acid (constituent of st. john's wort), Q421964, SR-01000841185, SR-01000946600, D54CAE3D-CDDA-455D-A28E-77FC9EFE4A43, SR-01000841185-4, SR-01000946600-1, BRD-K47114202-001-06-2, BRD-K47114202-001-14-6, 32CF6D13-8F08-485F-B79E-F8A6AC318E07, Chlorogenic acid, primary pharmaceutical reference standard, Chlorogenic acid, European Pharmacopoeia (EP) Reference Standard, Chlorogenic acid, United States Pharmacopeia (USP) Reference Standard, 3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid, 3-[3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid, cyclohexanecarboxylic acid, 3-(3',4'-dihydroxycinnamoyl)oxy-1,4,5-trihydroxy-, (1R,3S,4S,5S)-3-[(E)-3-(3,4-Dihydroxy-phenyl)-acryloyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid, (1S,3R,4R,5R)-3-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylicacid, (1S,3R,4R,5R)-3-((E)-3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid, (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid, (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid, (1S,3R,4R,5R,E)-3-(3-(3,4-dihydroxyphenyl)acryloyloxy)-1,4,5-trihydroxycyclohexanecarboxylic acid, Chlorogenic acid (constituent of echinacea angustifolia root, echinacea pallida root, echinacea purpurea root and echinacea purpurea aerial parts), CYCLOHEXANECARBOXYLIC ACID, 3-((3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-1,4,5-TRIHYDROXY-, (1S-(1-.ALPHA.,3-.BETA.,4-.ALPHA.,5-.ALPHA.))-
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