1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetic acid; 3,5-Dibromo, di-Me acetal, amide
AlkaPlorer ID: AK032464
Synonym: 3,5-Dibromo-1-hydroxy-4,4-dimethoxy-2,5-cyclohexadiene-1-acetamide
IUPAC Name: 2-(3,5-dibromo-1-hydroxy-4,4-dimethoxycyclohexa-2,5-dien-1-yl)acetamide
Structure
SMILES: COC1(OC)C(Br)=CC(O)(CC(=N)O)C=C1Br
InChI: InChI=1S/C10H13Br2NO4/c1-16-10(17-2)6(11)3-9(15,4-7(10)12)5-8(13)14/h3-4,15H,5H2,1-2H3,(H2,13,14)
InChIKey: RMXCQNYOZAQNNT-UHFFFAOYSA-N
Reference
PubChem CID: 23425612
CAS: 24742-01-6
LOTUS: LTS0219484
SuperNatural Ⅲ: SN0329757
NPASS: NPC117213
COCONUT: CNP0408133
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Rhododendron arboreum | Rhododendron | Ericaceae | Ericales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Axinella sp. | Axinella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Subergorgia suberosa | Subergorgia | Subergorgiidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 371.025
TPSA？: 82.77
MolLogP？: 2.20317
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|