Summary

IMPPAT Phytochemical identifier: IMPHY006283

Phytochemical name: Cannabigerovarinic acid

Synonymous chemical names:
cannabigerovarinic acid

External chemical identifiers:
CID:59444383, ChEMBL:CHEMBL4573671, ZINC:ZINC000013383009, FDASRS:29M8M4ZTH4, SureChEMBL:SCHEMBL13214111, MolPort-046-691-526

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Chemical structure information

SMILES:
CCCc1cc(O)c(c(c1C(=O)O)O)C/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C20H28O4/c1-5-7-15-12-17(21)16(19(22)18(15)20(23)24)11-10-14(4)9-6-8-13(2)3/h8,10,12,21-22H,5-7,9,11H2,1-4H3,(H,23,24)/b14-10+

InChIKey:
FAVCTJGKHFHFHJ-GXDHUFHOSA-N

DeepSMILES:
CCCcccO)ccc6C=O)O)))O))C/C=C/CCC=CC)C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: 2.191

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Chemical structure download