Haemodorone
PubChem CID: 44179579
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | haemodorone, 7-hydroxy-8-methoxy-10-phenyl-3-oxatricyclo(7.3.1.05,13)trideca-1(13),5,7,9,11-pentaene-2,4-dione, 7-hydroxy-8-methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione, CHEMBL551732, 1159493-97-6 |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 512.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-8-methoxy-10-phenyl-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C19H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GVBJAQUCCACYEW-UHFFFAOYSA-N |
| Fcsp3 | 0.0526315789473684 |
| Logs | -4.322 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.676 |
| Compound Name | Haemodorone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.568593333333333 |
| Inchi | InChI=1S/C19H12O5/c1-23-17-14(20)9-13-15-12(18(21)24-19(13)22)8-7-11(16(15)17)10-5-3-2-4-6-10/h2-9,20H,1H3 |
| Smiles | COC1=C(C=C2C3=C(C=CC(=C31)C4=CC=CC=C4)C(=O)OC2=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Digitalis Ferruginea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eucalyptus Phellandra (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients