2,8-Dihydroxy-3,4,7-trimethoxyphenanthrene
PubChem CID: 24762423
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| Compound Synonyms | 2,8-dihydroxy-3,4,7-trimethoxyphenanthrene, CHEMBL254598, SCHEMBL23203427 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 376.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,5,6-trimethoxyphenanthrene-1,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C17H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QRWFGIYPPNJHCO-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.116 |
| Rotatable Bond Count | 3.0 |
| Logd | -0.137 |
| Compound Name | 2,8-Dihydroxy-3,4,7-trimethoxyphenanthrene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 300.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.261731090909091 |
| Inchi | InChI=1S/C17H16O5/c1-20-13-7-6-10-11(15(13)19)5-4-9-8-12(18)16(21-2)17(22-3)14(9)10/h4-8,18-19H,1-3H3 |
| Smiles | COC1=C(C2=C(C=C1)C3=C(C(=C(C=C3C=C2)O)OC)OC)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all