ent-17-Hydroxy-15-kauren-19-oic acid
PubChem CID: 13890715
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| Compound Synonyms | ent-17-Hydroxykaur-15-en-19-oic acid, 35030-38-7, ent-17-Hydroxy-15-kauren-19-oic acid, 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid, KBA03038, AKOS032948241, 17-Hydroxy-(4alpha)-Kaur-15-en-18-oic acid, 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadec-14-ene-5-carboxylic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Description | Isolated from Aralia cordata (udo). ent-17-Hydroxy-15-kauren-19-oic acid is found in green vegetables and corn. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 567.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 4.2 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C20H30O3 |
| Inchi Key | XEQHVCXFKPCQNM-UHFFFAOYSA-N |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 17-Hydroxy-(4alpha)-kaur-15-en-18-Oic acid, 17-hydroxy-ent-kaur-15-en-19-oic Acid, ent-17-Hydroxy-15-kauren-19-oic acid, Kaur-15-en-18-oic acid, 17-hydroxy-, (4alpha)-, ent-17-Hydroxy-15-kauren-19-Oate, 17-Hydroxy-ent-kaur-15-en-19-Oic acid, 14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-14-ene-5-carboxylate |
| Compound Name | ent-17-Hydroxy-15-kauren-19-oic acid |
| Kingdom | Organic compounds |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 318.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homopolycyclic compounds |
| Inchi | InChI=1S/C20H30O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23) |
| Smiles | CC12CCCC(C1CCC34C2CCC(C3)C(=C4)CO)(C)C(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Kaurane diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all