2-Methoxy-9,10-dihydrophenanthrene-4,5-diol
PubChem CID: 11506999
Connections displayed (default: 10).
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| Compound Synonyms | Pyruvate Carboxylase-IN-1, 2-methoxy-9,10-dihydrophenanthrene-4,5-diol, CHEMBL254186, HY-142684, CS-0372747 |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 293.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-methoxy-9,10-dihydrophenanthrene-4,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KQMGXHNRKZYDEK-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.976 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.409 |
| Compound Name | 2-Methoxy-9,10-dihydrophenanthrene-4,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7224321333333332 |
| Inchi | InChI=1S/C15H14O3/c1-18-11-7-10-6-5-9-3-2-4-12(16)14(9)15(10)13(17)8-11/h2-4,7-8,16-17H,5-6H2,1H3 |
| Smiles | COC1=CC2=C(C(=C1)O)C3=C(CC2)C=CC=C3O |
| Nring | 3.0 |
| 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 - 2. Outgoing r'ship
FOUND_INto/from Gymnadenia Conopsea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all