Summary

IMPPAT Phytochemical identifier: IMPHY000740

Phytochemical name: 2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol

Synonymous chemical names:
cannabidivarin

External chemical identifiers:
CID:45783233, SureChEMBL:SCHEMBL243338

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Chemical structure information

SMILES:
CCCc1cc(O)c(c(c1)O)[C@H]1C=C(C)CC[C@@H]1C(=C)C

InChI:
InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m1/s1

InChIKey:
REOZWEGFPHTFEI-CVEARBPZSA-N

DeepSMILES:
CCCcccO)ccc6)O))[C@H]C=CC)CC[C@@H]6C=C)C

Functional groups:
C=C(C)C, CC(C)=CC, 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: 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: 2.005

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Chemical structure download