Summary

IMPPAT Phytochemical identifier: IMPHY002853

Phytochemical name: Milletenin C

Synonymous chemical names:
milletenin c

External chemical identifiers:
CID:14483216

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Chemical structure information

SMILES:
COc1cc2oc(cc(=O)c2cc1OC)c1ccc2c(c1)OCO2

InChI:
InChI=1S/C18H14O6/c1-20-16-6-11-12(19)7-14(24-15(11)8-17(16)21-2)10-3-4-13-18(5-10)23-9-22-13/h3-8H,9H2,1-2H3

InChIKey:
HCZZPIBXVSKNNL-UHFFFAOYSA-N

DeepSMILES:
COcccoccc=O)c6cc%10OC)))))))cccccc6)OCO5

Functional groups:
c1cOCO1, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCC3OCOC3C2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCC3CCCC3C2)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: 0.499

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Chemical structure download