Summary

IMPPAT Phytochemical identifier: IMPHY005070

Phytochemical name: Cannabichromanone

Synonymous chemical names:
cannabichromanone

External chemical identifiers:
CID:186690, SureChEMBL:SCHEMBL13214165

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Chemical structure information

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C(C2=O)CCC(=O)C)(C)C

InChI:
InChI=1S/C20H28O4/c1-5-6-7-8-14-11-16(22)18-17(12-14)24-20(3,4)15(19(18)23)10-9-13(2)21/h11-12,15,22H,5-10H2,1-4H3

InChIKey:
NHZMSIOYBVIOAF-UHFFFAOYSA-N

DeepSMILES:
CCCCCcccO)ccc6)OCCC6=O))CCC=O)C)))))C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCOc2ccccc21

Scaffold Graph/Node level:
OC1CCOC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 1.605

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Chemical structure download