Avarol; 2',5'-Quinone, 4'-amino
AlkaPlorer ID: AK289809
Synonym: 4'-Aminoavarone
IUPAC Name: 2-amino-5-[(1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl]cyclohexa-2,5-diene-1,4-dione
Structure
SMILES: CC1=CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(N)=CC1=O
InChI: InChI=1S/C21H29NO2/c1-13-6-5-7-19-20(13,3)9-8-14(2)21(19,4)12-15-10-18(24)16(22)11-17(15)23/h6,10-11,14,19H,5,7-9,12,22H2,1-4H3
InChIKey: KLKKCYLRGDKDCZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dysidea fragilis | Dysidea | Dysideidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 327.4680000000001
TPSA？: 60.16
MolLogP？: 4.0961000000000025
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|