Selaginpulvilin N
PubChem CID: 137628530
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4434820, Selaginpulvilin N, BDBM50510082 |
|---|---|
| Topological Polar Surface Area | 68.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 904.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[2-(4-hydroxyphenyl)ethynyl]-7-(methoxymethyl)-9,9-bis(4-methoxyphenyl)fluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 7.6 |
| Molecular Formula | C37H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGAVFJAMHHIGIH-UHFFFAOYSA-N |
| Fcsp3 | 0.1351351351351351 |
| Logs | -4.689 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.401 |
| Compound Name | Selaginpulvilin N |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 554.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 554.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 554.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.180451828571432 |
| Inchi | InChI=1S/C37H30O5/c1-40-23-25-7-20-34-33-21-14-29(39)22-35(33)37(26-8-15-30(41-2)16-9-26,27-10-17-31(42-3)18-11-27)36(34)32(25)19-6-24-4-12-28(38)13-5-24/h4-5,7-18,20-22,38-39H,23H2,1-3H3 |
| Smiles | COCC1=C(C2=C(C=C1)C3=C(C2(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)C=C(C=C3)O)C#CC6=CC=C(C=C6)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