Selaginpulvilin M
PubChem CID: 137628580
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| Compound Synonyms | CHEMBL4564393, Selaginpulvilin M, BDBM50510081 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 870.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)-7-methylfluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 8.3 |
| Molecular Formula | C36H28O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMUYFSFAOAZCJF-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -4.6 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.354 |
| Compound Name | Selaginpulvilin M |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 524.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 524.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 524.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.606319200000002 |
| Inchi | InChI=1S/C36H28O4/c1-23-4-19-33-32-21-14-28(38)22-34(32)36(25-8-15-29(39-2)16-9-25,26-10-17-30(40-3)18-11-26)35(33)31(23)20-7-24-5-12-27(37)13-6-24/h4-6,8-19,21-22,37-38H,1-3H3 |
| Smiles | CC1=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 | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients