Summary

IMPPAT Phytochemical identifier: IMPHY011790

Phytochemical name: Neral

Synonymous chemical names:
(z)-citral, beta citral, beta-citral, cis-citral, citral b, neral, neral (main), neral ((z)-citral), neral (citral b), neral(citralb), neral*, β-citral

External chemical identifiers:
CID:643779, ChEBI:29020, ZINC:ZINC000012358789, FDASRS:8M466BQL1X, SureChEMBL:SCHEMBL21491

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Chemical structure information

SMILES:
O=C/C=C(CCC=C(C)C)/C

InChI:
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-

InChIKey:
WTEVQBCEXWBHNA-YFHOEESVSA-N

DeepSMILES:
O=C/C=CCCC=CC)C)))))/C

Functional groups:
C/C(C)=CC=O, CC=C(C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.645

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Chemical structure download