Summary

IMPPAT Phytochemical identifier: IMPHY008038

Phytochemical name: Homalomenol D

Synonymous chemical names:
homalomenol d

External chemical identifiers:
CID:101712280, ChEBI:132871, ZINC:ZINC000238738838

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Chemical structure information

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

InChI:
InChI=1S/C15H26O2/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(17-11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15+/m0/s1

InChIKey:
YEBFCABPNPSILV-RUDNTAQLSA-N

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

Functional groups:
CO, COC

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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: 2.895

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Chemical structure download