Summary

IMPPAT Phytochemical identifier: IMPHY006284

Phytochemical name: Cannabidivarinic acid

Synonymous chemical names:
cannabidivarinic acid

External chemical identifiers:
CID:59444387, ChEMBL:CHEMBL4538462, ZINC:ZINC000013382983, FDASRS:YG5ED5JUB3, SureChEMBL:SCHEMBL13214123

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Chemical structure information

SMILES:
CCCc1cc(O)c(c(c1C(=O)O)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C

InChI:
InChI=1S/C20H26O4/c1-5-6-13-10-16(21)18(19(22)17(13)20(23)24)15-9-12(4)7-8-14(15)11(2)3/h9-10,14-15,21-22H,2,5-8H2,1,3-4H3,(H,23,24)/t14-,15+/m0/s1

InChIKey:
CZXWOKHVLNYAHI-LSDHHAIUSA-N

DeepSMILES:
CCCcccO)ccc6C=O)O)))O))[C@@H]C=CC)CC[C@H]6C=C)C

Functional groups:
C=C(C)C, CC(C)=CC, cC(=O)O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC(c2ccccc2)CCC1

Scaffold Graph/Node level:
C1CCC(C2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Benzoic acids and derivatives

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 2.313

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Chemical structure download