Selaginpulvilin R
PubChem CID: 137628551
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| Compound Synonyms | CHEMBL4529248, Selaginpulvilin R, BDBM50510084 |
|---|---|
| Topological Polar Surface Area | 69.9 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 881.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9S)-9-(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethynyl]-9-(4-methoxyphenyl)-7-methylfluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 8.0 |
| Molecular Formula | C35H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UXIFPAQATVCMID-DHUJRADRSA-N |
| Fcsp3 | 0.0857142857142857 |
| Logs | -3.758 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.897 |
| Compound Name | Selaginpulvilin R |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 510.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.39168256923077 |
| Inchi | InChI=1S/C35H26O4/c1-22-3-18-32-31-20-15-28(38)21-33(31)35(24-7-13-27(37)14-8-24,25-9-16-29(39-2)17-10-25)34(32)30(22)19-6-23-4-11-26(36)12-5-23/h3-5,7-18,20-21,36-38H,1-2H3/t35-/m0/s1 |
| Smiles | CC1=C(C2=C(C=C1)C3=C([C@]2(C4=CC=C(C=C4)O)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