Summary

IMPPAT Phytochemical identifier: IMPHY010660

Phytochemical name: Euphorcinol

Synonymous chemical names:
euphorcinol

Chemical structure information

SMILES:
O[C@H]1CC[C@@H]([C@@]2([C@@H]1[C@]1(C)CC[C@@]3([C@]([C@H]1CC2)(C)CC[C@@]1([C@H]3CC(C)(C)CC1)C)C)C)C

InChI:
InChI=1S/C30H52O/c1-20-9-10-21(31)24-27(20,5)12-11-22-28(24,6)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23+,24+,26+,27+,28+,29+,30-/m0/s1

InChIKey:
IGDXQFIAOCIECM-YBTMEFRXSA-N

DeepSMILES:
O[C@H]CC[C@@H][C@@][C@@H]6[C@]C)CC[C@@][C@][C@H]6CC%10)))C)CC[C@@][C@H]6CCC)C)CC6)))))C)))))C))))))C))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Friedelane triterpenoids

NP-Likeness score: 2.747

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Chemical structure download