Summary

IMPPAT Phytochemical identifier: IMPHY006186

Phytochemical name: Cannabidiol

Synonymous chemical names:
cannabidiol

External chemical identifiers:
CID:644019, ChEMBL:CHEMBL190461, ChEBI:69478, ZINC:ZINC000004097406, FDASRS:19GBJ60SN5, SureChEMBL:SCHEMBL119679

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Chemical structure information

SMILES:
CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C

InChI:
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1

InChIKey:
QHMBSVQNZZTUGM-ZWKOTPCHSA-N

DeepSMILES:
CCCCCcccO)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: 1.985

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Chemical structure download