(-)-Curcumol
(1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
Molecular Identity
(-)-Curcumol
(1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol
PubChem CID: 14240392
Curcumol is a sesquiterpenoid.
2D Structure
Properties
C15H24O2
Molecular Formula
236.35
Molecular Weight
g/mol
236.1776
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
362
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC2C13CC(C(O3)(CC2=C)O)C(C)CIsomeric SMILES
SMILES: C[C@H]1CC[C@@H]2[C@]13C[C@H]([C@](O3)(CC2=C)O)C(C)CSynonyms(20)
Curcumol4871-97-0(-)-Curcumol9190RTN07X(1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-olDTXSID50964108(1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo(6.2.1.01,5)undecan-8-olRefChem:1288802-methyl-6-methylidene-9-(propan-2-yl)-11-oxatricyclo(6.2.1.0^(1,5))undecan-8-olDTXCID701391819(3S-(3 alpha,3a alpha,5 alpha,6 alpha,8a beta))-octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3a,6-epoxyazulen-6-olMFCD00272163(3S,3aS,5S,6R,8aS)-Octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3a,6-epoxyazulen-6-ol6H-3a,6-Epoxyazulen-6-ol, octahydro-3-methyl-8-methylene-5-(1-methylethyl)-, (3S,3aS,5S,6R,8aS)-(3S,3aS,5S,6R,8aS)-5-isopropyl-3-methyl-8-methyleneoctahydro-6H-3a,6-epoxyazulen-6-ol
Data from PubChem (NCBI)
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Drug Network
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