Trametenolic acid
PubChem CID: 12309443
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| Compound Synonyms | Trametenolic acid, 24160-36-9, Trametenolic acid B, (+)-trametenolic acid B, 3beta-Hydroxylanosta-8,24-dien-21-oic acid, (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid, (R)-2-((3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,4,5,6,7,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-enoic acid, Trametenolicacid, CHEMBL387689, DTXSID50946989, CHEBI:173148, HY-N4169, BDBM50486726, AKOS040760737, DA-58688, 3-Hydroxy-(3beta)-Lanosta-8,24-dien-21-oic acid, 3.BETA.-HYDROXYLANOSTA-8,24-DIEN-21-ACID, Q15634148, 3.BETA.-HYDROXYLANOSTA-8,24-DIEN-21-OIC ACID, LANOSTA-8,24-DIEN-21-OIC ACID, 3.BETA.-HYDROXY-, (3.BETA.)-3-HYDROXYLANOSTA-8,24-DIEN-21-OIC ACID, 3.BETA.-HYDROXY-5.ALPHA.-LANOSTA-8,24-DIEN-21-OIC ACID, 5.ALPHA.-LANOSTA-8,24-DIEN-21-OIC ACID, 3.BETA.-HYDROXY-, LANOSTA-8,24-DIEN-21-OIC ACID, 3-HYDROXY-, (3.BETA.)-, (2R)-2-[(2S,5S,7R,11R,14R,15R)-5-hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoic acid |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | NBSBUIQBEPROBM-GIICLEHTSA-N |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Synonyms | (+)-Trametenolic acid B, 3-Hydroxy-(3beta)-lanosta-8,24-dien-21-Oic acid, 3beta-Hydroxylanosta-8,24-dien-21-oic acid, Lanosta-8,24-dien-21-oic acid, 3-hydroxy-, (3beta)-, Trametenolate, Trametenolic acid, Trametenolic acid B, Trametenolate b, (+)-Trametenolic acid b, 3beta-Hydroxylanosta-8,24-dien-21-Oic acid, (2R)-2-[(2S,5S,7R,11R,14R,15R)-5-Hydroxy-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]-6-methylhept-5-enoate, Trametenolic acid b |
| Heavy Atom Count | 33.0 |
| Compound Name | Trametenolic acid |
| Kingdom | Organic compounds |
| Description | Metabolite of Ganoderma tsugae (red reishi). Trametenolic acid B is found in mushrooms. |
| Exact Mass | 456.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 456.36 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 862.0 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 456.7 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Uniprot Id | P07265, n.a. |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Class | Prenol lipids |
| Inchi | InChI=1S/C30H48O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24-25,31H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24+,25+,28-,29-,30+/m1/s1 |
| Smiles | CC(=CCC[C@H]([C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O)C |
| Xlogp | 7.5 |
| Superclass | Lipids and lipid-like molecules |
| Defined Bond Stereocenter Count | 0.0 |
| Subclass | Triterpenoids |
| Taxonomy Direct Parent | Triterpenoids |
| Molecular Formula | C30H48O3 |
- 1. Outgoing r'ship
FOUND_INto/from Glochidion Heyneanum (Plant) Rel Props:Source_db:npass_chem_all