Selaginpulvilin P
PubChem CID: 137628564
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4467092, Selaginpulvilin P, BDBM50510086 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 875.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9,9-bis(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethynyl]-7-(methoxymethyl)fluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 6.9 |
| Molecular Formula | C35H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WDHUSHSLPTXJOZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0857142857142857 |
| Logs | -4.275 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.14 |
| Compound Name | Selaginpulvilin P |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 526.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 526.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 526.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.755445600000002 |
| Inchi | InChI=1S/C35H26O5/c1-40-21-23-5-18-32-31-19-16-29(39)20-33(31)35(24-6-12-27(37)13-7-24,25-8-14-28(38)15-9-25)34(32)30(23)17-4-22-2-10-26(36)11-3-22/h2-3,5-16,18-20,36-39H,21H2,1H3 |
| Smiles | COCC1=C(C2=C(C=C1)C3=C(C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)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