9,10-Dihydro-1-(4'-hydroxybenzyl)-4,7-dimethoxy phenanthrene-2,8-diol
PubChem CID: 146026515
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| Compound Synonyms | CHEMBL4580900, 9,10-dihydro-1-(4'-hydroxybenzyl)-4,7-dimethoxy phenanthrene-2,8-diol |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(4-hydroxyphenyl)methyl]-2,5-dimethoxy-9,10-dihydrophenanthrene-1,7-diol |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KZBOGBHKRGJKGR-UHFFFAOYSA-N |
| Fcsp3 | 0.217391304347826 |
| Logs | -4.13 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.313 |
| Compound Name | 9,10-Dihydro-1-(4'-hydroxybenzyl)-4,7-dimethoxy phenanthrene-2,8-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 378.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.321143085714286 |
| Inchi | InChI=1S/C23H22O5/c1-27-20-10-9-15-17(23(20)26)8-7-16-18(11-13-3-5-14(24)6-4-13)19(25)12-21(28-2)22(15)16/h3-6,9-10,12,24-26H,7-8,11H2,1-2H3 |
| Smiles | COC1=C(C2=C(C=C1)C3=C(C=C(C(=C3CC2)CC4=CC=C(C=C4)O)O)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients