9-(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-5,7-dimethoxyphenanthrene-4,10-diol
PubChem CID: 134141097
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| Compound Synonyms | CHEMBL3926387 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 809.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-(2,5-dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-5,7-dimethoxyphenanthrene-4,10-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C31H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALOLYPRPZCCYEC-UHFFFAOYSA-N |
| Fcsp3 | 0.1612903225806451 |
| Logs | -6.459 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.633 |
| Compound Name | 9-(2,5-Dihydroxy-7-methoxy-9,10-dihydrophenanthren-3-yl)-5,7-dimethoxyphenanthrene-4,10-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 510.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.317476189473686 |
| Inchi | InChI=1S/C31H26O7/c1-36-17-9-16-8-7-15-10-24(33)21(14-20(15)27(16)25(34)12-17)28-22-11-18(37-2)13-26(38-3)30(22)29-19(31(28)35)5-4-6-23(29)32/h4-6,9-14,32-35H,7-8H2,1-3H3 |
| Smiles | COC1=CC2=C(C3=CC(=C(C=C3CC2)O)C4=C(C5=C(C(=CC=C5)O)C6=C4C=C(C=C6OC)OC)O)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