Rubrumazine A

AlkaPlorer ID: AK322213

Synonym: None

IUPAC Name: 3-[[7-(2-hydroxy-3-methoxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C=C2N=C(O)C(C)NC2=O)C2=C(N1)C(CC(O)C(C)(C)OC)=CC=C2

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InChI: InChI=1S/C25H33N3O4/c1-8-24(3,4)21-17(13-18-23(31)26-14(2)22(30)27-18)16-11-9-10-15(20(16)28-21)12-19(29)25(5,6)32-7/h8-11,13-14,19,28-29H,1,12H2,2-7H3,(H,26,31)(H,27,30)

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InChIKey: GLTPMFUAKYLYRX-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 439.5560000000002

TPSA: 106.94

MolLogP: 3.7756000000000025

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information