Summary

IMPPAT Phytochemical identifier: IMPHY013150

Phytochemical name: Erycristin

Synonymous chemical names:
erycristin

External chemical identifiers:
CID:13994537

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Chemical structure information

SMILES:
COc1ccc2c(c1CC=C(C)C)OC1C2COc2c1cc(CC=C(C)C)c(c2)O

InChI:
InChI=1S/C26H30O4/c1-15(2)6-8-17-12-20-24(13-22(17)27)29-14-21-18-10-11-23(28-5)19(9-7-16(3)4)25(18)30-26(20)21/h6-7,10-13,21,26-27H,8-9,14H2,1-5H3

InChIKey:
OFTVQUQKDYNGED-UHFFFAOYSA-N

DeepSMILES:
COcccccc6CC=CC)C)))))OCC5COcc6ccCC=CC)C))))cc6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OC1c3ccccc3OCC21

Scaffold Graph/Node level:
C1CCC2C(C1)OC1C3CCCCC3OCC21

Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Furanoisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Pterocarpan

NP-Likeness score: 2.324

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Chemical structure download