3-Hydroxy-2,4,7-trimethoxy-9,10-dihydrophenanthrene
PubChem CID: 24762424
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| Compound Synonyms | 3-hydroxy-2,4,7-trimethoxy-9,10-dihydrophenanthrene, CHEMBL400004, SCHEMBL23203428 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 348.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2,4,7-trimethoxy-9,10-dihydrophenanthren-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C17H18O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JVPHMEDOWQXNDP-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -4.663 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.215 |
| Compound Name | 3-Hydroxy-2,4,7-trimethoxy-9,10-dihydrophenanthrene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 286.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9820845428571428 |
| Inchi | InChI=1S/C17H18O4/c1-19-12-6-7-13-10(8-12)4-5-11-9-14(20-2)16(18)17(21-3)15(11)13/h6-9,18H,4-5H2,1-3H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CC2)OC)O)OC |
| 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