Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013342

Phytochemical name: Dihydrobaicalein

Synonymous chemical names:
dihydrobaicalein

External chemical identifiers:
CID:CID_9816931, SureChEMBL:SCHEMBL12068882

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Chemical structure information

SMILES:
O=C1CC(Oc2c1c(O)c(c(c2)O)O)c1ccccc1

InChI:
InChI=1S/C15H12O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-5,7,11,17-19H,6H2

InChIKey:
GPDJGLOROGNHJD-UHFFFAOYSA-N

DeepSMILES:
O=CCCOcc6cO)ccc6)O))O))))))cccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 1.693

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Chemical structure download