2-(1,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol
PubChem CID: 162993553
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL5288260 |
|---|---|
| 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 | 2-(1,7-dihydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 5.9 |
| Molecular Formula | C30H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZTEUZOLDIGBRHR-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.701 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.684 |
| Compound Name | 2-(1,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-2-yl)-7-methoxy-9,10-dihydrophenanthrene-3,5-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 482.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 482.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 482.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.850331733333335 |
| Inchi | InChI=1S/C30H26O6/c1-35-19-10-17-4-3-16-11-23(25(32)13-22(16)28(17)26(33)12-19)24-14-27(36-2)29-20-8-6-18(31)9-15(20)5-7-21(29)30(24)34/h6,8-14,31-34H,3-5,7H2,1-2H3 |
| Smiles | COC1=CC2=C(C3=CC(=C(C=C3CC2)C4=CC(=C5C(=C4O)CCC6=C5C=CC(=C6)O)OC)O)C(=C1)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Pilosus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lebeckia Plukenetiana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Physocarpus Intermedius (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Saraca Asoca (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Securigera Securidaca (Plant) Rel Props:Source_db:cmaup_ingredients