Psorothamnone A
PubChem CID: 10065574
Connections displayed (default: 10).
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| Compound Synonyms | psorothamnone A, 11-acetyl-7,7,9-trimethyl-(1)benzofuro(3,2-b)chromene-6,8-dione, 11-acetyl-7,7,9-trimethyl-[1]benzofuro[3,2-b]chromene-6,8-dione, CHEMBL464403, 208105-38-8 |
|---|---|
| Topological Polar Surface Area | 69.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 821.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 11-acetyl-7,7,9-trimethyl-[1]benzofuro[3,2-b]chromene-6,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CQEHHYNZYRAVFN-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -4.101 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.452 |
| Compound Name | Psorothamnone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.0434266 |
| Inchi | InChI=1S/C20H16O5/c1-9-15-14(19(23)20(3,4)18(9)22)17-16(25-15)13(10(2)21)11-7-5-6-8-12(11)24-17/h5-8H,1-4H3 |
| Smiles | CC1=C2C(=C3C(=C(C4=CC=CC=C4O3)C(=O)C)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 Arborescens (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Psorothamnus Junceus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Psorothamnus Polydenius (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Psorothamnus Spinosus (Plant) Rel Props:Reference: