Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003922

Phytochemical name: Lilac alcohol

Synonymous chemical names:
Lilac alcohol, lilac alcohol, lilac alcohol a

External chemical identifiers:
CID:CID_526973, SureChEMBL:SCHEMBL1717171

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Chemical structure information

SMILES:
OCC(C1CCC(O1)(C)C=C)C

InChI:
InChI=1S/C10H18O2/c1-4-10(3)6-5-9(12-10)8(2)7-11/h4,8-9,11H,1,5-7H2,2-3H3

InChIKey:
VUEGXHXUMOZKKN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCO5)C)C=C))))))C

Functional groups:
CO, C=CC, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 3.326

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Chemical structure download