Pterolinus K
PubChem CID: 53388317
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| Compound Synonyms | Pterolinus K, CHEMBL1829656, 7-hydroxy-9-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxyphenanthrene-1,4-dione |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 704.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-hydroxy-9-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxyphenanthrene-1,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C23H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKGJEHWLTNMFNY-UHFFFAOYSA-N |
| Fcsp3 | 0.1304347826086956 |
| Logs | -5.843 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.769 |
| Compound Name | Pterolinus K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 406.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.846484666666667 |
| Inchi | InChI=1S/C23H18O7/c1-28-19-5-4-11(6-17(19)25)12-7-15-16(24)10-21(30-3)23(27)22(15)14-9-20(29-2)18(26)8-13(12)14/h4-10,25-26H,1-3H3 |
| Smiles | COC1=C(C=C(C=C1)C2=CC3=C(C4=CC(=C(C=C24)O)OC)C(=O)C(=CC3=O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Santalinus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all