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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
960
Total Number of Articles : 1187
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| PubChem |
6758
|
| Molecular Formula |
C23H22O6 |
| SMILES |
CC(=C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC |
| 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 |
| synonyms |
- rotenone
- 83-79-4
- Derris
- Noxfire
- Rotenox
- Prentox
- Tubotoxin
- Pb-nox
- Caswell No. 725
- Foliafume E.C.
- CCRIS 895
- Rotenone [BSI:ISO]
- HSDB 1762
- Rotacide E.C.
- EPA Pesticide Chemical Code 071003
- AI3-00133
- NSC26258
- EINECS 201-501-9
- NSC 26258
- Derris, JMAF
- UNII-03L9OT429T
- DTXSID6021248
- CHEBI:28201
- 03L9OT429T
- ROTENONE [HSDB]
- ROTENONE [ISO]
- ROTENONE [MI]
- NSC-26258
- ROTENONE [MART.]
- (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
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| Properties |
| Property |
Value |
| MW |
394.4 g/mol |
| HBD |
0 |
| HBA |
6 |
| Rotatable Bond Count |
3 |
| Exact Mass |
394.14163842 g/mol |
| Monoisotopic Mass |
394.14163842 g/mol |
| Heavy Atom Count |
29 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
664 |
| xlogp |
4.1 |
| Topological Polar Surface Area |
63.2 |
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