Summary

IMPPAT Phytochemical identifier: IMPHY000403

Phytochemical name: Eryvarin B

Synonymous chemical names:
eryvarin b

External chemical identifiers:
CID:101010400

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Chemical structure information

SMILES:
CC(=CCc1cc2CC(O)C(Oc2c2c1OCC(C2=O)c1ccc(cc1)O)(C)C)C

InChI:
InChI=1S/C25H28O5/c1-14(2)5-6-16-11-17-12-20(27)25(3,4)30-24(17)21-22(28)19(13-29-23(16)21)15-7-9-18(26)10-8-15/h5,7-11,19-20,26-27H,6,12-13H2,1-4H3

InChIKey:
YETRVFYEIPEEPR-UHFFFAOYSA-N

DeepSMILES:
CC=CCcccCCO)COc6cc%10OCCC6=O))cccccc6))O))))))))))))C)C)))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2c(ccc3c2OCCC3)OCC1c1ccccc1

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCC3CCCOC3C21

Scaffold Graph level:
CC1C(C2CCCCC2)CCC2CCC3CCCCC3C21

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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: 2.35

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Chemical structure download