rotenone | SBID = 2350 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 63.2 | ||
| Ertl TPSA/Å2: | 63.22 | ||
| Hydrophilicity (PubChem XLogP): | 4.1 | ||
| Hydrophilicity (Cheng XLogP3): | 4.1 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 298.9 | ||
| Sum Formula: | C23H22O6 | ||
| M / g/mol: | 394.4 | ||
| Complexity: | 664.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags: drug
- Name: rotenone
- Preferred Abbreviation: rotenone
- IUPAC Name: (1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
- CAS:
- CID: 6758
- InChiKey: JUVIOZPCNVVQFO-HBGVWJBISA-N
- InChi: InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1
- CanoSmiles: CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC
- IsoSmiles: CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC
