| Compound Name: | Plocamenol A |
| Accession No: | RP120 |
| Molecular Formula: | C10H17Br2ClO2 |
| Molecular Weight: | 364.50200 [g/mol] |
| Monoisotopic Mass: | 361.90838 [Da] |
- Species Information
- Structure Information
- Predicted Properties
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| Binomial Name: | Plocamium Cartilagineum |
| Geographical Origin: | Chilean coast (V Region) using scuba diving |
| Extraction: | Ethyl acetate |
| Biological Activity: |
| IUPAC: | (2R,3E,6R,7S)-1,7-dibromo-8-chloro-3,7-dimethyloct-3-ene-2,6-diol |
| SMILES Notification: | ClC[C@](Br)(C)[C@H](O)C\C=C(/C)[C@@H](O)CBr |
| InChI: | InChI=1/C10H17Br2ClO2/c1-7(8(14)5-11)3-4-9(15)10(2,12)6-13/h3,8-9,14-15H,4-6H2,1-2H3/b7-3+/t8-,9+,10+/m0/s1 |
| ALOGPS: | 3.14 |
| No. of Rule 5 Violations: | 0 |
| No. of H-Bond Donor: | 2 |
| No. of H-Bond Acceptor: | 2 |
| No. of Freely Rotating Bonds: | 8 |
| Molar Refractivity [cm3]: | 71.544 |
| Polar Surface Area [Å2]: | 40.46 |
| Van Der Waals Surface Area [Å2]: | 379.00 |
| Reference No. 1: | Plocamenols A-C, novel linear polyhalohydroxylated monoterpenes from Plocamium cartilagineum. Díaz-Marrero AR, Rovirosa J, Darias J, San-Martín A, Cueto M. J Nat Prod. 2002; 65(4): 585-8.
PMID: 11975508 |
| PubChem ID: | No details available |
| ChemSpider ID: | 557819 |
| ChemEBI ID: | No details available |