Cyperaquinone
PubChem CID: 117898
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| Compound Synonyms | Cyperaquinone, 26962-40-3, 5-methyl-2-prop-1-en-2-ylfuro[3,2-f][1]benzofuran-4,8-dione, C10322, 3-Methyl-6-prop-1-en-2-ylfuro(3,2-f(1)benzoxole-4,8-dione, AC1L3LSK, AC1Q6NF9, Benzo[1,2-b:5,4-b']difuran-4,8-dione, 5-methyl-2-(1-methylethenyl)-, CHEBI:4040, DTXSID90181458, KFMPVUGBZZOSGH-UHFFFAOYSA-N, Q27106293, 3-Methyl-6-prop-1-en-2-ylfuro[3,2-f][1]benzofuran-4,8-dione |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 428.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-prop-1-en-2-ylfuro[3,2-f][1]benzofuran-4,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C14H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KFMPVUGBZZOSGH-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -5.715 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.212 |
| Compound Name | Cyperaquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 242.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8667371111111106 |
| Inchi | InChI=1S/C14H10O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h4-5H,1H2,2-3H3 |
| Smiles | CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C3)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Haspan (Plant) Rel Props:Source_db:cmaup_ingredients