Gnaphalin
PubChem CID: 44584264
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL465001, GNAPHALIN, BDBM50269629 |
|---|---|
| Topological Polar Surface Area | 89.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Uniprot Id | P23219 |
| Prediction Hob | 1.0 |
| Target Id | NPT30 |
| Xlogp | 1.4 |
| Molecular Formula | C20H24O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KRDZPLIXVXKNST-AVIVPSALSA-N |
| Fcsp3 | 0.7 |
| Logs | -4.043 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.446 |
| Compound Name | Gnaphalin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 360.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 360.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 360.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.966824892307692 |
| Inchi | InChI=1S/C20H24O6/c1-12-7-16(22)20(10-21)15(3-2-5-18(20)11-25-18)19(12)8-14(26-17(19)23)13-4-6-24-9-13/h4,6,9,12,14-15,21H,2-3,5,7-8,10-11H2,1H3/t12-,14+,15-,18+,19-,20+/m1/s1 |
| Smiles | C[C@@H]1CC(=O)[C@@]2([C@@H]([C@@]13C[C@H](OC3=O)C4=COC=C4)CCC[C@]25CO5)CO |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Gnaphalium Affine (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pseudognaphalium Affine (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all