Selaginpulvilin T
PubChem CID: 137628440
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| Compound Synonyms | CHEMBL4554204, Selaginpulvilin T, BDBM50510085 |
|---|---|
| Topological Polar Surface Area | 79.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 915.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9R)-9-(4-hydroxyphenyl)-8-[2-(4-hydroxyphenyl)ethynyl]-7-(methoxymethyl)-9-(4-methoxyphenyl)fluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 7.2 |
| Molecular Formula | C36H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGIFMJHIMJHUBF-PSXMRANNSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -3.812 |
| Rotatable Bond Count | 7.0 |
| Logd | 2.957 |
| Compound Name | Selaginpulvilin T |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 540.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 540.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.970776414634148 |
| Inchi | InChI=1S/C36H28O5/c1-40-22-24-6-19-33-32-20-15-29(39)21-34(32)36(25-7-13-28(38)14-8-25,26-9-16-30(41-2)17-10-26)35(33)31(24)18-5-23-3-11-27(37)12-4-23/h3-4,6-17,19-21,37-39H,22H2,1-2H3/t36-/m1/s1 |
| Smiles | COCC1=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 | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients