Summary

IMPPAT Phytochemical identifier: IMPHY006760

Phytochemical name: Isofernene

Synonymous chemical names:
isofernene

Chemical structure information

SMILES:
CC(C1CC[C@@H]2C1(C)CC[C@]1(C2(C)CCC2=C1CCC1[C@]2(C)CCCC1(C)C)C)C

InChI:
InChI=1S/C30H50/c1-20(2)21-10-13-25-28(21,6)18-19-29(7)23-11-12-24-26(3,4)15-9-16-27(24,5)22(23)14-17-30(25,29)8/h20-21,24-25H,9-19H2,1-8H3/t21?,24?,25-,27-,28?,29-,30?/m1/s1

InChIKey:
FQCKEVJQPWDRQG-PCOLYFNBSA-N

DeepSMILES:
CCCCC[C@@H]C5C)CC[C@]C6C)CCC=C6CCC[C@]6C)CCCC6C)C))))))))))))))C)))))))))C

Functional groups:
CC(C)=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3=C(CCC2C1)C1CCC2CCCC2C1CC3

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

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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: Fernane and Arborinane triterpenoids

NP-Likeness score: 3.149

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Chemical structure download