Selaginpulvilin I
PubChem CID: 137628547
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| Compound Synonyms | CHEMBL4584384, Selaginpulvilin I, BDBM50510078 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 844.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,9-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethynyl]fluorene-2,5-diol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 6.9 |
| Molecular Formula | C33H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UKOSSVYJQBNKNJ-UHFFFAOYSA-N |
| Fcsp3 | 0.0303030303030303 |
| Logs | -3.929 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.057 |
| Compound Name | Selaginpulvilin I |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 498.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 498.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 498.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.73642132631579 |
| Inchi | InChI=1S/C33H22O5/c34-24-10-2-20(3-11-24)1-4-21-5-18-30(38)31-28-17-16-27(37)19-29(28)33(32(21)31,22-6-12-25(35)13-7-22)23-8-14-26(36)15-9-23/h2-3,5-19,34-38H |
| Smiles | C1=CC(=CC=C1C#CC2=C3C(=C(C=C2)O)C4=C(C3(C5=CC=C(C=C5)O)C6=CC=C(C=C6)O)C=C(C=C4)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients