Psoralen, 8-geranyl-5-methoxy-
PubChem CID: 6442182
Connections displayed (default: 10).
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| Compound Synonyms | Psoralen, 8-geranyl-5-methoxy-, CHEMBL1934197, 17182-52-4, BDBM50361391 |
|---|---|
| Topological Polar Surface Area | 57.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 616.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P56817 |
| Iupac Name | 9-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxyfuro[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Target Id | NPT740 |
| Xlogp | 5.6 |
| Molecular Formula | C22H24O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CTPXXQMJFXTTQZ-XNTDXEJSSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -5.519 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.36 |
| Compound Name | Psoralen, 8-geranyl-5-methoxy- |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 368.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.488156096296297 |
| Inchi | InChI=1S/C22H24O5/c1-14(2)6-5-7-15(3)10-12-26-22-20-17(11-13-25-20)19(24-4)16-8-9-18(23)27-21(16)22/h6,8-11,13H,5,7,12H2,1-4H3/b15-10+ |
| Smiles | CC(=CCC/C(=C/COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients