Summary

IMPPAT Phytochemical identifier: IMPHY001712

Phytochemical name: Maesopsin

Synonymous chemical names:
maesopsin

External chemical identifiers:
CID:160803, ChEMBL:CHEMBL462109, SureChEMBL:SCHEMBL9957960

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Chemical structure information

SMILES:
Oc1ccc(cc1)CC1(O)Oc2c(C1=O)c(O)cc(c2)O

InChI:
InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2

InChIKey:
LOFYFDPXORJJEE-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))CCO)OccC5=O))cO)ccc6)O

Functional groups:
CC1(O)OccC1=O, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2OC1Cc1ccccc1

Scaffold Graph/Node level:
OC1C(CC2CCCCC2)OC2CCCCC21

Scaffold Graph level:
CC1C(CC2CCCCC2)CC2CCCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Aurone flavonoids

ClassyFire Subclass: Auronols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Aurones

NP-Likeness score: 1.808

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Chemical structure download