Microminutin B99749 K156
PubChem CID: 331548
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | NSC324638, MICROMINUTIN B99749 K156, NSC-324638 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 504.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-8-(4-methyl-5-oxo-2H-furan-3-yl)chromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C15H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SZDQMJNXOGFLAJ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -3.701 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.795 |
| Compound Name | Microminutin B99749 K156 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 272.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7911872 |
| Inchi | InChI=1S/C15H12O5/c1-8-10(7-19-15(8)17)13-11(18-2)5-3-9-4-6-12(16)20-14(9)13/h3-6H,7H2,1-2H3 |
| Smiles | CC1=C(COC1=O)C2=C(C=CC3=C2OC(=O)C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Micromelum Integerrimum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients