Summary
IMPPAT Phytochemical identifier: IMPHY014857
Phytochemical name: Cedrol
Synonymous chemical names:alpha-cedrol, cedrol, α-cedrol
External chemical identifiers:CID:65575, ChEMBL:CHEMBL1974890, ChEBI:10217, ZINC:ZINC000003978626, FDASRS:63ZM9703BO, SureChEMBL:SCHEMBL107488, MolPort-003-910-655
Chemical structure information
SMILES:
C[C@@H]1CC[C@@H]2[C@@]31CC[C@@]([C@H](C3)C2(C)C)(C)OInChI:
InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1InChIKey:
SVURIXNDRWRAFU-OGMFBOKVSA-NDeepSMILES:
C[C@@H]CC[C@@H][C@]5CC[C@@][C@H]C6)C7C)C)))C)OFunctional groups:
CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CC2CC3CCCC3(C1)C2Scaffold Graph/Node level:
C1CC2CC3CCCC3(C1)C2Scaffold Graph level:
C1CC2CC3CCCC3(C1)C2
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Sesquiterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Sesquiterpenoids
NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids
NP-Likeness score: 2.976
Chemical structure download