Aeroplysinin 1; (±)-form
AlkaPlorer ID: AK283398
Synonym: None
IUPAC Name: 2-(3,5-dibromo-1,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)acetonitrile
Structure
SMILES: COC1=C(Br)C(O)C(O)(CC#N)C=C1Br
InChI: InChI=1S/C9H9Br2NO3/c1-15-7-5(10)4-9(14,2-3-12)8(13)6(7)11/h4,8,13-14H,2H2,1H3
InChIKey: BGYNLOSBKBOJJD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verongula gigantea | Verongula | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 338.983
TPSA？: 73.47999999999999
MolLogP？: 1.53738
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|