Geranylcoumarin
PubChem CID: 44429171
Connections displayed (default: 10).
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| Compound Synonyms | geranylcoumarin, CHEMBL241896, BDBM50209570 |
|---|---|
| Topological Polar Surface Area | 35.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 459.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[(2E,5E)-3,7-dimethylocta-2,5-dienoxy]chromen-2-one |
| Prediction Hob | 1.0 |
| Target Id | NPT109 |
| Xlogp | 5.1 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KAYCKFWCZGZEHA-WEPZFIBGSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -5.794 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.258 |
| Compound Name | Geranylcoumarin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 298.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.157 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 298.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.766032036363637 |
| Inchi | InChI=1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h4-5,7-11,13-14H,6,12H2,1-3H3/b5-4+,15-11+ |
| Smiles | CC(C)/C=C/C/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients