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

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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

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InChIKey: NOJOXLPGRABQRC-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: 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

Metabolism Information