1-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,5-diol
PubChem CID: 11477116
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL3985369 |
|---|---|
| Topological Polar Surface Area | 99.4 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 762.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(4,7-dihydroxy-5-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.1 |
| Molecular Formula | C30H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDBFZEMERBDKII-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.276 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.081 |
| Compound Name | 1-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-4-methoxyphenanthrene-2,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 478.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.638355555555557 |
| Inchi | InChI=1S/C30H22O6/c1-35-24-13-17(31)12-16-7-8-19-18(10-11-22(33)29(19)27(16)24)28-20-9-6-15-4-3-5-21(32)26(15)30(20)25(36-2)14-23(28)34/h3-14,31-34H,1-2H3 |
| Smiles | COC1=C2C(=CC(=C1)O)C=CC3=C(C=CC(=C32)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C(=CC=C6)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynanchum Viminale (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lanaria Lanata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Selaginella Labordei (Plant) Rel Props:Source_db:cmaup_ingredients