Avarol; Δ4(12)-Isomer, 2',5'-quinone, 4'-(2S-methylbutylamino) 

AlkaPlorer ID: AK289805

Synonym: Dysidaminone L

IUPAC Name: 2-[(1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)methyl]-5-(2-methylbutylamino)cyclohexa-2,5-diene-1,4-dione

Structure

SMILES: C=C1CCCC2C1(C)CCC(C)C2(C)CC1=CC(=O)C(NCC(C)CC)=CC1=O

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InChI: InChI=1S/C26H39NO2/c1-7-17(2)16-27-21-14-22(28)20(13-23(21)29)15-26(6)19(4)11-12-25(5)18(3)9-8-10-24(25)26/h13-14,17,19,24,27H,3,7-12,15-16H2,1-2,4-6H3

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InChIKey: KEOAEQSUJXRYRG-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Dysidea fragilis Dysidea Dysideidae Dictyoceratida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 397.6030000000002

TPSA: 46.17

MolLogP: 5.773100000000006

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information