Summary

IMPPAT Phytochemical identifier: IMPHY004740

Phytochemical name: Baicalein 7-rhamnoside

Synonymous chemical names:
baicalein-7-beta-l-rhamnoside

External chemical identifiers:
CID:44258406

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Chemical structure information

SMILES:
OC1[C@@H](OC([C@@H]([C@@H]1O)O)C)Oc1cc2oc(cc(=O)c2c(c1O)O)c1ccccc1

InChI:
InChI=1S/C21H20O9/c1-9-16(23)19(26)20(27)21(28-9)30-14-8-13-15(18(25)17(14)24)11(22)7-12(29-13)10-5-3-2-4-6-10/h2-9,16,19-21,23-27H,1H3/t9?,16-,19-,20?,21-/m0/s1

InChIKey:
KIJPCEZNJSGANY-QQIFUZDSSA-N

DeepSMILES:
OC[C@@H]OC[C@@H][C@@H]6O))O))C)))Occcoccc=O)c6cc%10O))O)))))cccccc6

Functional groups:
CO, c=O, cO, cO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CC(OC3CCCCO3)CCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CC(CC3CCCCC3)CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavonoid glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.922

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Chemical structure download