Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017732

Phytochemical name: ISOLONGIFOLOL

Synonymous chemical names:
(-)-Isolongifolol, Isolongifolol

External chemical identifiers:
CID:CID_12311096, ChEMBL:CHEMBL388140, ZINC:ZINC000028645580

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Chemical structure information

SMILES:
OC[C@H]1[C@H]2CC[C@H]3[C@]1(C)CCCC([C@@H]23)(C)C

InChI:
InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3/t10-,11-,12+,13+,15+/m1/s1

InChIKey:
VZJHQHUOVIDRCF-BIGJJFBESA-N

DeepSMILES:
OC[C@H][C@H]CC[C@H][C@]6C)CCCC[C@@H]%107)C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph/Node level:
C1CCC2C3CCC2C(C1)C3

Scaffold Graph level:
C1CCC2C3CCC2C(C1)C3

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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: Longifolane sesquiterpenoids

NP-Likeness score: 2.744

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Chemical structure download