Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005179

Phytochemical name: alpha-Sinensal

Synonymous chemical names:
α-sinensal, α-sinensals, alpha-sinensal, alpha-Sinensal

External chemical identifiers:
CID:CID_5281534, ChEBI:CHEBI:10332, ZINC:ZINC000004098303, FDASRS:5SEZ02PE9O, SureChEMBL:SCHEMBL713640

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Chemical structure information

SMILES:
C=C/C(=C/C/C=C(/CC/C=C(/C=O)\C)\C)/C

InChI:
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,8-9,11-12H,1,6-7,10H2,2-4H3/b13-8+,14-9+,15-11+

InChIKey:
PFSTYGCNVAVZBK-JQGMZEBDSA-N

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

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

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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: Farnesane sesquiterpenoids

NP-Likeness score: 2.883

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Chemical structure download