Summary

IMPPAT Phytochemical identifier: IMPHY007961

Phytochemical name: Hortensin

Synonymous chemical names:
hortensin

External chemical identifiers:
CID:129973

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Chemical structure information

SMILES:
COc1cc2oc(c3ccc(cc3)O)c(c(=O)c2cc1OC)O

InChI:
InChI=1S/C17H14O6/c1-21-13-7-11-12(8-14(13)22-2)23-17(16(20)15(11)19)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3

InChIKey:
HJNLHRFLGKGWLI-UHFFFAOYSA-N

DeepSMILES:
COcccoccccccc6))O)))))cc=O)c6cc%10OC))))))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: 0.881

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Chemical structure download