Perrotettin F
PubChem CID: 11953464
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | perrottetin F, Perrotettin F, CHEMBL458920, BDBM50615508, NSC799313, NSC-799313, 89911-98-8 |
|---|---|
| Topological Polar Surface Area | 90.2 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 562.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P03433 |
| Iupac Name | 5-[2-(3-hydroxyphenyl)ethyl]-3-[4-[2-(3-hydroxyphenyl)ethyl]phenoxy]benzene-1,2-diol |
| Prediction Hob | 0.0 |
| Xlogp | 6.5 |
| Molecular Formula | C28H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFNWXQOYUAXUAF-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -3.581 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.131 |
| Compound Name | Perrotettin F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 442.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 442.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 442.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.663550018181819 |
| Inchi | InChI=1S/C28H26O5/c29-23-5-1-3-20(15-23)8-7-19-11-13-25(14-12-19)33-27-18-22(17-26(31)28(27)32)10-9-21-4-2-6-24(30)16-21/h1-6,11-18,29-32H,7-10H2 |
| Smiles | C1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)OC3=CC(=CC(=C3O)O)CCC4=CC(=CC=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lunularia Cruciata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Radula Perrottetii (Plant) Rel Props:Source_db:npass_chem_all