Summary

IMPPAT Phytochemical identifier: IMPHY012186

Phytochemical name: Tetrahydrocannabivarol

Synonymous chemical names:
tetrahydrocannabivarol

External chemical identifiers:
CID:34180, SureChEMBL:SCHEMBL245827

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Chemical structure information

SMILES:
CCCc1cc(O)c2c(c1)OC(C1C2C=C(C)CC1)(C)C

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

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

DeepSMILES:
CCCcccO)ccc6)OCCC6C=CC)CC6))))))C)C

Functional groups:
CC=C(C)C, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2c3ccccc3OCC2CC1

Scaffold Graph/Node level:
C1CCC2C(C1)COC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 2.357

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Chemical structure download