1-(2,7-Dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol
PubChem CID: 72708168
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| Compound Synonyms | CHEMBL3905680 |
|---|---|
| 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-(2,7-dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C30H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ILWNTPWAVWLUTO-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -6.806 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.77 |
| Compound Name | 1-(2,7-Dihydroxy-5-methoxy-9,10-dihydrophenanthren-3-yl)-4-methoxyphenanthrene-2,7-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 480.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 480.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 480.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.244343644444445 |
| Inchi | InChI=1S/C30H24O6/c1-35-26-12-19(32)10-17-4-3-16-11-24(33)23(13-22(16)28(17)26)29-21-7-5-15-9-18(31)6-8-20(15)30(21)27(36-2)14-25(29)34/h5-14,31-34H,3-4H2,1-2H3 |
| Smiles | COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)C4=C5C=CC6=C(C5=C(C=C4O)OC)C=CC(=C6)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Formosana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients