Haemodorol
PubChem CID: 44179580
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| Compound Synonyms | haemodorol, 7-hydroxy-10-(4-hydroxyphenyl)-8-methoxy-3-oxatricyclo(7.3.1.05,13)trideca-1(13),5,7,9,11-pentaene-2,4-dione, 7-hydroxy-10-(4-hydroxyphenyl)-8-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione, CHEMBL562656, 1159493-98-7 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-10-(4-hydroxyphenyl)-8-methoxy-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C19H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RKEVKIMMOMGXDS-UHFFFAOYSA-N |
| Fcsp3 | 0.0526315789473684 |
| Logs | -4.424 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.431 |
| Compound Name | Haemodorol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4275538 |
| Inchi | InChI=1S/C19H12O6/c1-24-17-14(21)8-13-15-12(18(22)25-19(13)23)7-6-11(16(15)17)9-2-4-10(20)5-3-9/h2-8,20-21H,1H3 |
| Smiles | COC1=C(C=C2C3=C(C=CC(=C31)C4=CC=C(C=C4)O)C(=O)OC2=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eucalyptus Phellandra (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Saururus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients