Phochinenin G
PubChem CID: 102477413
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| Compound Synonyms | Phochinenin G, 1070883-75-8, CHEMBL3965220, AKOS040762893, F94150 |
|---|---|
| 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 | 3-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-3-yl)-7-methoxy-9,10-dihydrophenanthrene-2,5-diol |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C30H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRNODSBMQDXGBL-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -5.539 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.697 |
| Compound Name | Phochinenin G |
| 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 | -6.850331733333334 |
| Inchi | InChI=1S/C30H26O6/c1-35-20-10-17-5-4-16-11-24(32)23(14-22(16)27(17)25(33)13-20)29-26(36-2)12-18-6-3-15-9-19(31)7-8-21(15)28(18)30(29)34/h7-14,31-34H,3-6H2,1-2H3 |
| Smiles | COC1=CC2=C(C3=CC(=C(C=C3CC2)O)C4=C(C=C5CCC6=C(C5=C4O)C=CC(=C6)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