Avarol; Δ4(12)-Isomer, 2',5'-quinone, 4'-(2-phenylethylamino)
AlkaPlorer ID: AK289807
Synonym: Dysidaminone M
IUPAC Name: 2-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-5-(2-phenylethylamino)cyclohexa-2,5-diene-1,4-dione
Structure
SMILES: C=C1CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(NCCC2=CC=CC=C2)=CC1=O
InChI: InChI=1S/C29H37NO2/c1-20-9-8-12-27-28(20,3)15-13-21(2)29(27,4)19-23-17-26(32)24(18-25(23)31)30-16-14-22-10-6-5-7-11-22/h5-7,10-11,17-18,21,27,30H,1,8-9,12-16,19H2,2-4H3
InChIKey: NOJOXLPGRABQRC-UHFFFAOYSA-N
Reference
Heterologous Biosynthesis of Truncated Hexaketides Derived from the Actinorhodin Polyketide Synthase
PubChem CID: 163003766
COCONUT: CNP0277830.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysidea fragilis | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 431.6200000000002
TPSA?: 46.17
MolLogP?: 5.969700000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|
