Mammea F/BA, (-)-
PubChem CID: 51040688
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| Compound Synonyms | CHEBI:69981, Mammea F/BA, (-)-, CHEMBL1689176, BDBM50483555, Q27138325 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 675.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | Q99814 |
| Iupac Name | 5,7-dihydroxy-4-[(1S)-1-hydroxypentyl]-8-(3-methylbutanoyl)-6-(3-methylbut-2-enyl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.1 |
| Molecular Formula | C24H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KDXSRMVJFBSRCC-KRWDZBQOSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.778 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.48 |
| Compound Name | Mammea F/BA, (-)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 416.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 416.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 416.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.859653466666668 |
| Inchi | InChI=1S/C24H32O6/c1-6-7-8-17(25)16-12-19(27)30-24-20(16)22(28)15(10-9-13(2)3)23(29)21(24)18(26)11-14(4)5/h9,12,14,17,25,28-29H,6-8,10-11H2,1-5H3/t17-/m0/s1 |
| Smiles | CCCC[C@@H](C1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mammea Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all