Oryzanol
[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular Identity
Oryzanol
[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
PubChem CID: 6450219
2D Structure
Properties
C40H58O4
Molecular Formula
602.90
Molecular Weight
g/mol
602.4335
Exact Mass
Da
12.1
XLogP
Above Lipinski threshold
55.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
1150
Complexity
SMILES
Canonical SMILES
SMILES: CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)CIsomeric SMILES
SMILES: CC(CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34C2CCC5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC)C)CSynonyms(17)
12738-23-7gamma-ozCACLATEGAMMATSULGUNTRINMASPIRONORYVITAORYZAALTHIAMINOGENGAMMAJUST 50RefChem:1093918DTXSID90872334Oryzanol[(1S,3R,6S,12S,15R,16R)-7,7,12,16-tetramethyl-15-(6-methylhept-5-en-2-yl)-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateOrizanol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Oryzanol
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