Perlatolinic acid
PubChem CID: 174857
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Perlatolinic acid, Perlatolic acid, 529-47-5, NSC646002, CHEMBL2006643, 2-Hydroxy-4-((2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy)-6-pentylbenzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy]-6-pentylbenzoic acid, 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid, DTXSID60200943, CHEBI:144187, BDBM50369679, NSC-646002, NCI60_015815, 4-(2-hydroxy-6-pentyl-p-anisate) -6-pentyl-beta-resorcylic acid, beta-Resorcylic acid, 6-pentyl-, 4-(2-hydroxy-6-pentyl-p-anisate), 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentyl-benzoyl)oxy-6-pentyl-benzoic acid |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 581.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O14684 |
| Iupac Name | 2-hydroxy-4-(2-hydroxy-4-methoxy-6-pentylbenzoyl)oxy-6-pentylbenzoic acid |
| Prediction Hob | 0.0 |
| Target Id | NPT956 |
| Xlogp | 8.1 |
| Molecular Formula | C25H32O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTAQXQVSEKIWBB-UHFFFAOYSA-N |
| Fcsp3 | 0.44 |
| Logs | -3.215 |
| Rotatable Bond Count | 13.0 |
| Logd | 4.666 |
| Compound Name | Perlatolinic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 444.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 444.215 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 444.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.099648800000001 |
| Inchi | InChI=1S/C25H32O7/c1-4-6-8-10-16-13-19(15-20(26)22(16)24(28)29)32-25(30)23-17(11-9-7-5-2)12-18(31-3)14-21(23)27/h12-15,26-27H,4-11H2,1-3H3,(H,28,29) |
| Smiles | CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cataranthus Roseus (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Catharanthus Lanceus (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Catharanthus Longifolius (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Catharanthus Ovalis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Catharanthus Pusillus (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Gliricidia Sepium (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Osteospermum Fruticosum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Osteospermum Hyoseroides (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Osteospermum Muricatum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Periploca Aphylla (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Periploca Calophylla (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Periploca Graeca (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Periploca Indica (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Periploca Sepium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Senecio Roseus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Strophanthus Divaricatus (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Strophanthus Eminii (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Strophanthus Gratus (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Strophanthus Hispidus (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Strophanthus Ichii (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Strophanthus Kombe (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Strophanthus Preussii (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Strophanthus Sarmentosus (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Strophanthus Thollonii (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Strophanthus Wallichii (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Strophanthus Wightianus (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Vanda Coerulea (Plant) Rel Props:Reference: