Mammea B/AB, (-)-
PubChem CID: 70698228
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| Compound Synonyms | Mammea B/AB, (-)-, CHEBI:69987, Q27138331 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 5,7-dihydroxy-6-[(2S)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)-4-propylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.6 |
| Molecular Formula | C22H28O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | PQMOXTJVIYEOQL-ZDUSSCGKSA-N |
| Fcsp3 | 0.4545454545454545 |
| Logs | -4.29 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.827 |
| Compound Name | Mammea B/AB, (-)- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 372.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 372.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 372.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.079832274074075 |
| Inchi | InChI=1S/C22H28O5/c1-6-8-14-11-16(23)27-22-15(10-9-12(3)4)20(25)18(21(26)17(14)22)19(24)13(5)7-2/h9,11,13,25-26H,6-8,10H2,1-5H3/t13-/m0/s1 |
| Smiles | CCCC1=CC(=O)OC2=C1C(=C(C(=C2CC=C(C)C)O)C(=O)[C@@H](C)CC)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