Summary

IMPPAT Phytochemical identifier: IMPHY010121

Phytochemical name: Euphane

Synonymous chemical names:
euphane

External chemical identifiers:
CID:12312921

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Chemical structure information

SMILES:
CC(CCC[C@H]([C@@H]1CC[C@]2([C@@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CCCC2(C)C)C)C)C

InChI:
InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23+,24+,25-,26+,28-,29+,30-/m1/s1

InChIKey:
ZQIOPEXWVBIZAV-RRKMEGOCSA-N

DeepSMILES:
CCCCC[C@H][C@@H]CC[C@][C@@]5C)CC[C@H][C@H]6CC[C@@H][C@]6C)CCCC6C)C))))))))))))))C)))))C)))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C3CCCC3CCC21

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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: Lanostane, Tirucallane and Euphane triterpenoids

NP-Likeness score: 2.461

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Chemical structure download