Summary

IMPPAT Phytochemical identifier: IMPHY015765

Phytochemical name: iso-Longifolol acetate

Synonymous chemical names:
iso-longifolol acetate, isolongifolol acetate

External chemical identifiers:
CID:91746504

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Chemical structure information

SMILES:
CC(=O)OCC1[C@H]2CCC3[C@]1(C)CCCC(C23)(C)C

InChI:
InChI=1S/C17H28O2/c1-11(18)19-10-14-12-6-7-13-15(12)16(2,3)8-5-9-17(13,14)4/h12-15H,5-10H2,1-4H3/t12-,13?,14?,15?,17+/m1/s1

InChIKey:
FWCPQBUXTSVEIC-FIERDDRBSA-N

DeepSMILES:
CC=O)OCC[C@H]CCC[C@]6C)CCCCC%107)C)C

Functional groups:
COC(C)=O

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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: 2.421

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Chemical structure download