Summary

IMPPAT Phytochemical identifier: IMPHY000881

Phytochemical name: Dehydroglyasperin C

Synonymous chemical names:
dehydroglyasperin c

External chemical identifiers:
CID:480775, ZINC:ZINC000005854520, FDASRS:80H8MSZ44I, SureChEMBL:SCHEMBL5614039

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Chemical structure information

SMILES:
COc1c2C=C(COc2cc(c1CC=C(C)C)O)c1ccc(cc1O)O

InChI:
InChI=1S/C21H22O5/c1-12(2)4-6-16-19(24)10-20-17(21(16)25-3)8-13(11-26-20)15-7-5-14(22)9-18(15)23/h4-5,7-10,22-24H,6,11H2,1-3H3

InChIKey:
UACNRZUVCUEUPY-UHFFFAOYSA-N

DeepSMILES:
COccC=CCOc6ccc%10CC=CC)C)))))O))))))cccccc6O)))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C(c2ccccc2)COc2ccccc21

Scaffold Graph/Node level:
C1CCC(C2COC3CCCCC3C2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavanones

NP-Likeness score: 2.204

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Chemical structure download