Anemarcoumarin A
PubChem CID: 44557157
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ANEMARCOUMARIN A, 7-hydroxy-3-((4-hydroxyphenyl)methyl)chromen-2-one, 7-hydroxy-3-[(4-hydroxyphenyl)methyl]chromen-2-one, SCHEMBL774777, CHEMBL1077595, 1187957-98-7 |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 395.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-[(4-hydroxyphenyl)methyl]chromen-2-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Is Pains | False |
| Molecular Formula | C16H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LFZKQNNCOZCLAK-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Anemarcoumarin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2106616 |
| Inchi | InChI=1S/C16H12O4/c17-13-4-1-10(2-5-13)7-12-8-11-3-6-14(18)9-15(11)20-16(12)19/h1-6,8-9,17-18H,7H2 |
| Smiles | C1=CC(=CC=C1CC2=CC3=C(C=C(C=C3)O)OC2=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients