8-[(5-Hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol
PubChem CID: 102026936
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| Compound Synonyms | CHEMBL3922177 |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 747.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(5-hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.2 |
| Molecular Formula | C30H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VZKMEMDCBSYFTF-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.941 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.907 |
| Compound Name | 8-[(5-Hydroxy-7-methoxy-9,10-dihydrophenanthren-2-yl)oxy]-6-methoxy-9,10-dihydrophenanthrene-2,5-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 | -6.948131733333335 |
| Inchi | InChI=1S/C30H26O6/c1-34-21-13-18-4-3-17-12-20(7-10-22(17)28(18)25(32)14-21)36-26-15-27(35-2)30(33)29-23-9-6-19(31)11-16(23)5-8-24(26)29/h6-7,9-15,31-33H,3-5,8H2,1-2H3 |
| Smiles | COC1=CC2=C(C3=C(CC2)C=C(C=C3)OC4=CC(=C(C5=C4CCC6=C5C=CC(=C6)O)O)OC)C(=C1)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Nobile (Plant) Rel Props:Source_db:cmaup_ingredients