1-(7-Hydroxy-3,5-dimethoxy-9,10-dihydrophenanthren-2-yl)-4,7-dimethoxyphenanthren-2-ol
PubChem CID: 122178803
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| Compound Synonyms | CHEMBL3581372 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 792.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(7-hydroxy-3,5-dimethoxy-9,10-dihydrophenanthren-2-yl)-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob | 0.0 |
| Xlogp | 7.1 |
| Molecular Formula | C32H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PJPNKQNHGYEFTE-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -8.051 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.055 |
| Compound Name | 1-(7-Hydroxy-3,5-dimethoxy-9,10-dihydrophenanthren-2-yl)-4,7-dimethoxyphenanthren-2-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 508.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.667649789473686 |
| Inchi | InChI=1S/C32H28O6/c1-35-21-8-10-22-17(12-21)7-9-23-31(26(34)16-29(38-4)32(22)23)25-13-18-5-6-19-11-20(33)14-28(37-3)30(19)24(18)15-27(25)36-2/h7-16,33-34H,5-6H2,1-4H3 |
| Smiles | COC1=CC2=C(C=C1)C3=C(C=C(C(=C3C=C2)C4=C(C=C5C(=C4)CCC6=C5C(=CC(=C6)O)OC)OC)O)OC |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bletilla Striata (Plant) Rel Props:Source_db:cmaup_ingredients