Summary

IMPPAT Phytochemical identifier: IMPHY010653

Phytochemical name: Centdarol

Synonymous chemical names:
centdarol

Chemical structure information

SMILES:
CC1=CC[C@@H]2[C@H]([C@H]1O)C(C)(C)CCC[C@@]2(C)O

InChI:
InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15-/m1/s1

InChIKey:
NUXLUAXOQWMFEE-GUIRCDHDSA-N

DeepSMILES:
CC=CC[C@@H][C@H][C@H]6O))CC)C)CCC[C@@]7C)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

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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: Drimane sesquiterpenoids

NP-Likeness score: 3.201

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Chemical structure download