Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018311

Phytochemical name: cedrandiol,(8s,14)'

Synonymous chemical names:
Cedran-diol, (8S,14)-

Chemical structure information

SMILES:
OCC1(C)C2CC3(C1CCC3C)CCC2(C)O

InChI:
InChI=1S/C15H26O2/c1-10-4-5-11-13(2,9-16)12-8-15(10,11)7-6-14(12,3)17/h10-12,16-17H,4-9H2,1-3H3

InChIKey:
YULHLOUAHSEHLD-UHFFFAOYSA-N

DeepSMILES:
OCCC)CCCC5CCC5C)))))CCC6C)O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2

Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2

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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: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 2.855

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Chemical structure download