Isomammeigin
PubChem CID: 52946774
Connections displayed (default: 10).
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| Compound Synonyms | ISOMAMMEIGIN, CHEMBL1277682, 5-hydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-10-phenylpyrano(2,3-f)chromen-8-one, 5-hydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-10-phenylpyrano[2,3-f]chromen-8-one, Mammea A/BA cyclo D, BDBM50330758, 34107-38-5 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 743.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42275 |
| Iupac Name | 5-hydroxy-2,2-dimethyl-6-(3-methylbutanoyl)-10-phenylpyrano[2,3-f]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C25H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DJKBNLZZTMVBGL-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -4.549 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.296 |
| Compound Name | Isomammeigin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 404.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 404.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.288131066666667 |
| Inchi | InChI=1S/C25H24O5/c1-14(2)12-18(26)21-22(28)16-10-11-25(3,4)30-23(16)20-17(13-19(27)29-24(20)21)15-8-6-5-7-9-15/h5-11,13-14,28H,12H2,1-4H3 |
| Smiles | CC(C)CC(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)C4=CC=CC=C4 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Elegans (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dalea Elegans (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Desmodium Elegans (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Galium Elegans (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Gelsemium Elegans (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Helenium Elegans (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Liatris Elegans (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Lithocarpus Elegans (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Mesua Beccariana (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Mesua Elegans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Mesua Ferrea (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Mesua Racemosa (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Myricaria Elegans (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Smilax Elegans (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Stephania Elegans (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Thalictrum Elegans (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Zinnia Elegans (Plant) Rel Props:Reference: