Summary

IMPPAT Phytochemical identifier: IMPHY001657

Phytochemical name: (E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enal

Synonymous chemical names:
(e)-alpha-santalal

External chemical identifiers:
CID:14059042

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Chemical structure information

SMILES:
O=C/C(=C/CCC1(C)C2CC3C1(C)C3C2)/C

InChI:
InChI=1S/C15H22O/c1-10(9-16)5-4-6-14(2)11-7-12-13(8-11)15(12,14)3/h5,9,11-13H,4,6-8H2,1-3H3/b10-5+

InChIKey:
SHEUEEZGXLCROM-BJMVGYQFSA-N

DeepSMILES:
O=C/C=C/CCCC)CCCC5C)C3C6))))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

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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: Santalane sesquiterpenoids

NP-Likeness score: 3.294

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Chemical structure download