Summary

IMPPAT Phytochemical identifier: IMPHY001793

Phytochemical name: Glabroisoflavanone B

Synonymous chemical names:
glabroisoflavanone b

External chemical identifiers:
CID:11405466

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Chemical structure information

SMILES:
COc1ccc(c(c1)O)C1COc2c(C1=O)ccc1c2C=CC(O1)(C)C

InChI:
InChI=1S/C21H20O5/c1-21(2)9-8-14-18(26-21)7-6-15-19(23)16(11-25-20(14)15)13-5-4-12(24-3)10-17(13)22/h4-10,16,22H,11H2,1-3H3

InChIKey:
LOENFUAFIZVSTM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)O))CCOccC6=O))cccc6C=CCO6)C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccc3c(c2OCC1c1ccccc1)C=CCO3

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2C3CCCOC3CCC12

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2C3CCCCC3CCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 2.289

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Chemical structure download