Deacetylmammea E/Bc Cyclo D
PubChem CID: 44546136
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| Compound Synonyms | DEACETYLMAMMEA E/BC CYCLO D, 6-butanoyl-5-hydroxy-10-((1S)-1-hydroxypropyl)-2,2-dimethylpyrano(2,3-f)chromen-8-one, 6-butanoyl-5-hydroxy-10-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[2,3-f]chromen-8-one, CHEMBL2064614 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 664.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 6-butanoyl-5-hydroxy-10-[(1S)-1-hydroxypropyl]-2,2-dimethylpyrano[2,3-f]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C21H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | FVVAKBFHVJJOKV-ZDUSSCGKSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -4.479 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.49 |
| Compound Name | Deacetylmammea E/Bc Cyclo D |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 372.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 372.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6302594740740752 |
| Inchi | InChI=1S/C21H24O6/c1-5-7-14(23)17-18(25)11-8-9-21(3,4)27-19(11)16-12(13(22)6-2)10-15(24)26-20(16)17/h8-10,13,22,25H,5-7H2,1-4H3/t13-/m0/s1 |
| Smiles | CCCC(=O)C1=C2C(=C3C(=C1O)C=CC(O3)(C)C)C(=CC(=O)O2)[C@H](CC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Boehmeria Siamensis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Chisocheton Siamensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Clinacanthus Siamensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Eria Siamensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Mammea Africana (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Mammea Longifolia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Mammea Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Mammea Suriga (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Reference: