Psorothamnone B
PubChem CID: 10063027
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | psorothamnone B, 7,7,9-trimethyl-(1)benzofuro(3,2-b)chromene-6,8-dione, 7,7,9-trimethyl-[1]benzofuro[3,2-b]chromene-6,8-dione, CHEMBL464401, 294856-52-3 |
|---|---|
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 690.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7,7,9-trimethyl-[1]benzofuro[3,2-b]chromene-6,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MOCYZHODGBQOHB-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.202 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.502 |
| Compound Name | Psorothamnone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 294.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2203939999999998 |
| Inchi | InChI=1S/C18H14O4/c1-9-14-13(17(20)18(2,3)16(9)19)15-12(22-14)8-10-6-4-5-7-11(10)21-15/h4-8H,1-3H3 |
| Smiles | CC1=C2C(=C3C(=CC4=CC=CC=C4O3)O2)C(=O)C(C1=O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psorothamnus Junceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all