Summary

IMPPAT Phytochemical identifier: IMPHY008743

Phytochemical name: Rhynchosin

Synonymous chemical names:
rhynchosin

External chemical identifiers:
CID:5319492, SureChEMBL:SCHEMBL10037939

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Chemical structure information

SMILES:
Oc1ccc(cc1O)c1oc2cc(O)c(cc2c(=O)c1O)O

InChI:
InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-14(21)13(20)7-4-10(18)11(19)5-12(7)22-15/h1-5,16-19,21H

InChIKey:
HWTZYBCRDDUBJY-UHFFFAOYSA-N

DeepSMILES:
Occcccc6O)))cocccO)ccc6c=O)c%10O)))))O

Functional groups:
c=O, cO, 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: 1.204

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Chemical structure download