Summary

IMPPAT Phytochemical identifier: IMPHY012928

Phytochemical name: Intricatinol

Synonymous chemical names:
intricatinol

External chemical identifiers:
CID:6439175, ChEMBL:CHEMBL233805

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Chemical structure information

SMILES:
COc1ccc(cc1)/C=C/1COc2c(C1=O)ccc(c2O)O

InChI:
InChI=1S/C17H14O5/c1-21-12-4-2-10(3-5-12)8-11-9-22-17-13(15(11)19)6-7-14(18)16(17)20/h2-8,18,20H,9H2,1H3/b11-8+

InChIKey:
VXIWIIHDWPBCIM-DHZHZOJOSA-N

DeepSMILES:
COcccccc6))/C=CCOccC6=O))cccc6O))O

Functional groups:
c/C=C(C)C(c)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C(=Cc2ccccc2)COc2ccccc21

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CCC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Homoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Aurones

NP-Likeness score: 0.672

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Chemical structure download