5-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-7-hydroxy-2-methoxyphenanthrene-1,4-dione
PubChem CID: 11352948
Connections displayed (default: 10).
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| Topological Polar Surface Area | 123.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 980.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(4,7-dihydroxy-2,8-dimethoxyphenanthren-1-yl)-7-hydroxy-2-methoxyphenanthrene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C31H22O8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YJAVEJWPLMWCCZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0967741935483871 |
| Logs | -7.136 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.108 |
| Compound Name | 5-(4,7-Dihydroxy-2,8-dimethoxyphenanthren-1-yl)-7-hydroxy-2-methoxyphenanthrene-1,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 522.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 522.131 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 522.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.9753404153846175 |
| Inchi | InChI=1S/C31H22O8/c1-37-24-12-22(34)27-16-8-9-21(33)31(39-3)17(16)6-7-18(27)28(24)20-11-15(32)10-14-4-5-19-29(26(14)20)23(35)13-25(38-2)30(19)36/h4-13,32-34H,1-3H3 |
| Smiles | COC1=CC(=O)C2=C(C1=O)C=CC3=CC(=CC(=C32)C4=C(C=C(C5=C4C=CC6=C5C=CC(=C6OC)O)O)OC)O |
| Nring | 6.0 |
| 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 Lanaria Lanata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Selaginella Labordei (Plant) Rel Props:Source_db:cmaup_ingredients