8-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-5,7-dimethoxyphenanthrene-4,10-diol
PubChem CID: 134156048
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| Compound Synonyms | CHEMBL3958874 |
|---|---|
| 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 | 8-(4,7-dihydroxy-5-methoxyphenanthren-1-yl)-5,7-dimethoxyphenanthrene-4,10-diol |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C31H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DHURNPFAIHNJFR-UHFFFAOYSA-N |
| Fcsp3 | 0.0967741935483871 |
| Logs | -3.985 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.753 |
| Compound Name | 8-(4,7-Dihydroxy-5-methoxyphenanthren-1-yl)-5,7-dimethoxyphenanthrene-4,10-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 508.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.709324357894738 |
| Inchi | InChI=1S/C31H24O7/c1-36-24-12-16(32)11-15-7-8-18-17(9-10-22(34)29(18)27(15)24)28-20-13-23(35)19-5-4-6-21(33)30(19)31(20)26(38-3)14-25(28)37-2/h4-14,32-35H,1-3H3 |
| Smiles | COC1=CC(=C(C2=CC(=C3C=CC=C(C3=C21)O)O)C4=C5C=CC6=CC(=CC(=C6C5=C(C=C4)O)OC)O)OC |
| 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