Selaginpulvilin L
PubChem CID: 76283663
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL4451141, Selaginpulvilin L, SCHEMBL16660640, BDBM50510077 |
|---|---|
| Topological Polar Surface Area | 58.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 840.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[2-(4-hydroxyphenyl)ethynyl]-9,9-bis(4-methoxyphenyl)fluoren-2-ol |
| Prediction Hob | 0.0 |
| Target Id | NPT1464 |
| Xlogp | 7.9 |
| Molecular Formula | C35H26O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OTXNHUFFOJCVCL-UHFFFAOYSA-N |
| Fcsp3 | 0.0857142857142857 |
| Logs | -4.408 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.578 |
| Compound Name | Selaginpulvilin L |
| 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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.300482569230772 |
| Inchi | InChI=1S/C35H26O4/c1-38-29-17-10-25(11-18-29)35(26-12-19-30(39-2)20-13-26)33-22-28(37)16-21-31(33)32-5-3-4-24(34(32)35)9-6-23-7-14-27(36)15-8-23/h3-5,7-8,10-22,36-37H,1-2H3 |
| Smiles | COC1=CC=C(C=C1)C2(C3=C(C=CC(=C3)O)C4=CC=CC(=C42)C#CC5=CC=C(C=C5)O)C6=CC=C(C=C6)OC |
| 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