Summary

IMPPAT Phytochemical identifier: IMPHY016892

Phytochemical name: beta-Santaldiol

Synonymous chemical names:
β-santaldiol

External chemical identifiers:
CID:15276127, ChEMBL:CHEMBL455859, ZINC:ZINC000014690727

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Chemical structure information

SMILES:
OCC(=CCC[C@@]1(C)[C@@H]2CC[C@H](C1=C)C2)CO

InChI:
InChI=1S/C15H24O2/c1-11-13-5-6-14(8-13)15(11,2)7-3-4-12(9-16)10-17/h4,13-14,16-17H,1,3,5-10H2,2H3/t13-,14+,15+/m0/s1

InChIKey:
GDUPVLWBFYDTHE-RRFJBIMHSA-N

DeepSMILES:
OCC=CCC[C@@]C)[C@@H]CC[C@H]C6=C))C5)))))))))CO

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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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: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 3.348

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Chemical structure download