Summary

IMPPAT Phytochemical identifier: IMPHY015489

Phytochemical name: Aristol-9-en-3-ol

Synonymous chemical names:
aristol-9-en-3-ol

External chemical identifiers:
CID:91747184

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Chemical structure information

SMILES:
OC1CCC2=CC[C@@H]3[C@H]([C@]2([C@@H]1C)C)C3(C)C

InChI:
InChI=1S/C15H24O/c1-9-12(16)8-6-10-5-7-11-13(14(11,2)3)15(9,10)4/h5,9,11-13,16H,6-8H2,1-4H3/t9-,11-,12?,13+,15+/m1/s1

InChIKey:
FILZQHSQXIHNEM-WCRMDNNCSA-N

DeepSMILES:
OCCCC=CC[C@@H][C@H][C@]6[C@@H]%10C))C))C3C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2C2CC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CC12

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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: Aristolane sesquiterpenoids

NP-Likeness score: 3.249

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Chemical structure download