Jatamanin A
PubChem CID: 46211034
Connections displayed (default: 10).
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| Compound Synonyms | JATAMANIN A, (4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-methylidene-4a,5,6,7a-tetrahydrocyclopenta(c)pyran-1-one, (4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-methylidene-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-one, CHEMBL1094288 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 298.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Uniprot Id | n.a. |
| Iupac Name | (4aS,6S,7S,7aS)-6,7-dihydroxy-7-methyl-4-methylidene-4a,5,6,7a-tetrahydrocyclopenta[c]pyran-1-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.7 |
| Molecular Formula | C10H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LDGOKVOMVZXPJV-IBCQBUCCSA-N |
| Fcsp3 | 0.7 |
| Logs | -1.318 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.831 |
| Compound Name | Jatamanin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 198.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6027515999999998 |
| Inchi | InChI=1S/C10H14O4/c1-5-4-14-9(12)8-6(5)3-7(11)10(8,2)13/h6-8,11,13H,1,3-4H2,2H3/t6-,7+,8-,10-/m1/s1 |
| Smiles | C[C@]1([C@H](C[C@H]2[C@@H]1C(=O)OCC2=C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dicksonia Scabra (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Gentiana Scabra (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Guizotia Scabra (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Mosla Scabra (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Nardostachys Jatamansi (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Patrinia Scabiosifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Patrinia Scabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Patrinia Villosa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Richardia Scabra (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Trinia Scabra (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Valeriana Amurensis (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Valeriana Cardamines (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Valeriana Dubia (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Valeriana Fedtschenkoi (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Valeriana Hardwickii (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansii (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Valeriana Laxiflora (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Valeriana Leschenaultia (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Valeriana Microphylla (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Valeriana Wallichii (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Valeriana Wolgensis (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Zehneria Scabra (Plant) Rel Props:Reference: