Summary

IMPPAT Phytochemical identifier: IMPHY015453

Phytochemical name: 8S,13-Cedranediol

Synonymous chemical names:
8s,13-cedrane diol

External chemical identifiers:
CID:22212606

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Chemical structure information

SMILES:
OC[C@@]1(C)[C@H]2C[C@@]3([C@H]1CC[C@H]3C)CC[C@]2(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/t10-,11+,12-,13-,14+,15+/m1/s1

InChIKey:
YULHLOUAHSEHLD-QLKXBERHSA-N

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