(+)-Protolichesterinic acid
PubChem CID: 468953
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Protolichesterinic acid, Protolichesterinic acid, 493-46-9, CHEMBL490329, 3-Furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-tridecyl-, (2S,3R)-, SCHEMBL7913888, CHEBI:144205, DTXSID601154975, (2S,3R)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid, BDBM50250356, (2S,3R)-4-methylene-5-oxo-2-tridecyl-tetrahydrofuran-3-carboxylic acid, (2S,3R)-Tetrahydro-4-methylene-5-oxo-2-tridecyl-3-furancarboxylic acid |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 389.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q72547, P06746, n.a. |
| Iupac Name | (2S,3R)-4-methylidene-5-oxo-2-tridecyloxolane-3-carboxylic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT59 |
| Xlogp | 6.7 |
| Molecular Formula | C19H32O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WZYZDHVPSZCEEP-DLBZAZTESA-N |
| Fcsp3 | 0.7894736842105263 |
| Logs | -3.641 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.579 |
| Compound Name | (+)-Protolichesterinic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 324.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 324.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 324.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2272582 |
| Inchi | InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17+/m0/s1 |
| Smiles | CCCCCCCCCCCCC[C@H]1[C@@H](C(=C)C(=O)O1)C(=O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calypogeia Integristipula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cirsium Brevistylum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Desmodium Oxyphyllum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gentiana Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Putterlickia Verrucosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Vernonia Condensata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all