Lambertic Acid
PubChem CID: 13370049
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | lambertic acid, 55051-96-2, (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid, CHEMBL519807 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 474.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C20H28O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AYDJDNNMKHXZOQ-RLLQIKCJSA-N |
| Fcsp3 | 0.65 |
| Logs | -3.868 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.844 |
| Compound Name | Lambertic Acid |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.66017767826087 |
| Inchi | InChI=1S/C20H28O3/c1-12(2)14-10-13-6-7-17-19(3,15(13)11-16(14)21)8-5-9-20(17,4)18(22)23/h10-12,17,21H,5-9H2,1-4H3,(H,22,23)/t17-,19-,20+/m1/s1 |
| Smiles | CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@]3(C)C(=O)O)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ehretia Laevis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Lycianthes Laevis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Maytenus Apurimacensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Maytenus Aquifolium (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Maytenus Buchananii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Maytenus Buxifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Maytenus Canariensis (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Maytenus Chiapensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Maytenus Chuchuhuasca (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Maytenus Chuchuhuasha (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Maytenus Cuzcoina (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Maytenus Emarginata (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Maytenus Guianensis (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Maytenus Heterophylla (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Maytenus Hookeri (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Maytenus Horrida (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Maytenus Ilicifolia (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Maytenus Imbricata (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Maytenus Krukovii (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Maytenus Laevis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Maytenus Loeseneri (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Maytenus Mossambicensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Maytenus Octogona (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Maytenus Retusa (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Maytenus Rothiana (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Maytenus Serrata (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Mnesithea Laevis (Plant) Rel Props:Reference: