2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
PubChem CID: 14633005
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| Compound Synonyms | (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol, 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol, MEGxp0_001214, ACon0_000499, ACon1_001223, CHEBI:189768, EFA67387, NCGC00169559-01, [1S-[1alpha,2beta,5beta(R*)]]-5-(1,5-Dimethyl-4-hexenyl)-2-methyl-3-cyclohexene-1,2-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | YRFJMOGROZTYPC-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Synonyms | [1S-[1alpha,2beta,5beta(R*)]]-5-(1,5-Dimethyl-4-hexenyl)-2-methyl-3-cyclohexene-1,2-diol, 1-Methyl-2,6-diphenyl-4-piperidinone O-benzyloxime |
| Heavy Atom Count | 17.0 |
| Compound Name | 2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol |
| Description | Constituent of Curcuma longa (turmeric). (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol is found in turmeric and herbs and spices. |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 302.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h6,8-9,12-14,16-17H,5,7,10H2,1-4H3 |
| Smiles | CC(CCC=C(C)C)C1CC(C(C=C1)(C)O)O |
| Xlogp | 3.3 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C15H26O2 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:fooddb_chem_all