Summary

IMPPAT Phytochemical identifier: IMPHY004921

Phytochemical name: Cannabigerol

Synonymous chemical names:
cannabigerol

External chemical identifiers:
CID:5315659, ChEMBL:CHEMBL497318, ChEBI:69477, ZINC:ZINC000004217650, FDASRS:J1K406072N, SureChEMBL:SCHEMBL144819, MolPort-005-945-423

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Chemical structure information

SMILES:
CCCCCc1cc(O)c(c(c1)O)C/C=C(/CCC=C(C)C)C

InChI:
InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+

InChIKey:
QXACEHWTBCFNSA-SFQUDFHCSA-N

DeepSMILES:
CCCCCcccO)ccc6)O))C/C=C/CCC=CC)C)))))C

Functional groups:
C/C=C(/C)C, CC=C(C)C, 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: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 1.881

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Chemical structure download