Summary

IMPPAT Phytochemical identifier: IMPHY007764

Phytochemical name: Candidol

Synonymous chemical names:
candidol

External chemical identifiers:
CID:44259771, ZINC:ZINC000014644976

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Chemical structure information

SMILES:
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2c(c1OC)OC)O

InChI:
InChI=1S/C18H16O7/c1-22-12-8-11-13(18(24-3)17(12)23-2)14(20)15(21)16(25-11)9-4-6-10(19)7-5-9/h4-8,19,21H,1-3H3

InChIKey:
QWPGGRVLMOVFDM-UHFFFAOYSA-N

DeepSMILES:
COcccoccccccc6))O)))))cc=O)c6cc%10OC)))OC)))))O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.257

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Chemical structure download