Summary

IMPPAT Phytochemical identifier: IMPHY001827

Phytochemical name: Dihydromorelloflavone

Synonymous chemical names:
dihydromorelloflavone

External chemical identifiers:
CID:11467081, ChEMBL:CHEMBL63792, ChEBI:176047

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Chemical structure information

SMILES:
Oc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1c1c(O)cc(c2c1OC(CC2=O)c1ccc(c(c1)O)O)O)O

InChI:
InChI=1S/C30H22O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-10,22,27,29,31-37H,11H2

InChIKey:
IMIXFUXOSFSXPC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))COcccO)ccc6C=O)C%10ccO)cccc6OCCC6=O)))cccccc6)O))O)))))))))O))))))))O

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2c1cccc2C1C(=O)c2ccccc2OC1c1ccccc1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCCC2C1C(O)C2CCCCC2OC1C1CCCCC1

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCCC2C1C(C)C2CCCCC2CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.869

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Chemical structure download