Summary

IMPPAT Phytochemical identifier: IMPHY008037

Phytochemical name: Homalomenol C

Synonymous chemical names:
homalomenol c

External chemical identifiers:
CID:121596197, ChEBI:132870, ZINC:ZINC000169653739

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Chemical structure information

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

InChI:
InChI=1S/C15H26O3/c1-9(2)10-5-6-13(3)11(10)12-14(4,16)7-8-15(13,17)18-12/h9-12,16-17H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m1/s1

InChIKey:
DHUDRGOPTAAHRB-ARSDKDGVSA-N

DeepSMILES:
CC[C@H]CC[C@][C@@H]5[C@H]O[C@]5O)CC[C@@]6C)O))))))))C)))))C

Functional groups:
CO, C[C@@](C)(O)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2OC(C1)C1CCCC21

Scaffold Graph/Node level:
C1CC2OC(C1)C1CCCC21

Scaffold Graph level:
C1CC2CC(C1)C1CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Isodaucane sesquiterpenoids

NP-Likeness score: 2.655

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Chemical structure download