Summary

IMPPAT Phytochemical identifier: IMPHY004811

Phytochemical name: Sylpin

Synonymous chemical names:
3-me ether-3,4,5,6-tetrahydroxy-8-methylflavone

External chemical identifiers:
CID:44258710, ChEBI:175018, ZINC:ZINC000014761154

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Chemical structure information

SMILES:
COc1c(oc2c(c1=O)c(O)c(cc2C)O)c1ccc(cc1)O

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

InChIKey:
BUWDKAOCACVEON-UHFFFAOYSA-N

DeepSMILES:
COccoccc6=O))cO)ccc6C)))O))))))cccccc6))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: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.336

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Chemical structure download