8-Geranylumbelliferone
PubChem CID: 71694409
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| Compound Synonyms | 8-geranylumbelliferone, 23660-05-1, 8-geranyl-7-hydroxycoumarin, 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one, 2H-1-Benzopyran-2-one, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-, SCHEMBL24075636, CHEBI:134358, DTXSID201151248, AKOS040735253, C21495, EN300-21995970, 8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-2H-chromen-2-one, 8-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-7-hydroxy-2H-1-benzopyran-2-one, 8-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-7-hydroxy-2H-1-benzopyran-2-one, NCGC00384605-01!8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C19H22O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QPMKRRUDQIKGNH-VGOFMYFVSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -4.093 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.016 |
| Compound Name | 8-Geranylumbelliferone |
| 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 | 1.0 |
| Esol | -3.9958320363636366 |
| Inchi | InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-10-16-17(20)11-8-15-9-12-18(21)22-19(15)16/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-7+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=O)C=C2)O)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients