Summary

IMPPAT Phytochemical identifier: IMPHY005855

Phytochemical name: Jaceosidin

Synonymous chemical names:
jaceosidin, jaceosidin(6-methoxyluteolin 3'-methyl ester), jaceosidine

External chemical identifiers:
CID:5379096, ChEMBL:CHEMBL487601, ChEBI:66103, ZINC:ZINC000014779854, SureChEMBL:SCHEMBL3960077, MolPort-006-668-410

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Chemical structure information

SMILES:
COc1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)OC)O

InChI:
InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

InChIKey:
GLAAQZFBFGEBPS-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))ccc=O)cco6)cccc6O))OC)))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: Flavones

NP-Likeness score: 1.416

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Chemical structure download