Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015325

Phytochemical name: beta-Santalal

Synonymous chemical names:
(e)-beta-santalal, beta-santalal

External chemical identifiers:
CID:CID_101449606

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Chemical structure information

SMILES:
O=C/C(=C\CCC1(C)C2CCC(C1=C)C2)/C

InChI:
InChI=1S/C15H22O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,10,13-14H,2,4,6-9H2,1,3H3/b11-5-

InChIKey:
YFOIGZMLDYUPOI-WZUFQYTHSA-N

DeepSMILES:
O=C/C=C\CCCC)CCCCC6=C))C5)))))))))/C

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

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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: Sesquiterpenoids

NP Classifier Class: Santalane sesquiterpenoids

NP-Likeness score: 3.52

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Chemical structure download