Summary

IMPPAT Phytochemical identifier: IMPHY016935

Phytochemical name: 5-Aromadendranol

Synonymous chemical names:
aromadendran-5-ol

External chemical identifiers:
CID:101417765

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Chemical structure information

SMILES:
CC1CCC2C(C3(C1CCC3C)O)C2(C)C

InChI:
InChI=1S/C15H26O/c1-9-5-7-12-13(14(12,3)4)15(16)10(2)6-8-11(9)15/h9-13,16H,5-8H2,1-4H3

InChIKey:
OHFMYRJCMYNZKO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC7CCC5C)))))O))C3C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCC2C2CC2C1

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.633

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Chemical structure download