Summary

IMPPAT Phytochemical identifier: IMPHY016886

Phytochemical name: alpha-Santaldiol

Synonymous chemical names:
α-santaldiol

External chemical identifiers:
CID:44583958, ChEMBL:CHEMBL459111

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Chemical structure information

SMILES:
OCC(=CCCC1(C)C2CC3C1(C)C3C2)CO

InChI:
InChI=1S/C15H24O2/c1-14(5-3-4-10(8-16)9-17)11-6-12-13(7-11)15(12,14)2/h4,11-13,16-17H,3,5-9H2,1-2H3

InChIKey:
BPKXTDIRERUUAY-UHFFFAOYSA-N

DeepSMILES:
OCC=CCCCC)CCCC5C)C3C6))))))))))CO

Functional groups:
CC=C(C)C, CO

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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: 3.135

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Chemical structure download