Molecule

30-hydroxyechinulin

AlkaPlorer ID: AK139670

Synonym: None

IUPAC Name: (3S,6S)-3-[[7-[(Z)-4-hydroxy-3-methylbut-2-enyl]-2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-methylpiperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C[C@@H]2N=C(O)[C@H](C)N=C2O)C2=CC(CC=C(C)C)=CC(C/C=C(/C)CO)=C2N1

InChI: InChI=1S/C29H39N3O3/c1-8-29(6,7)26-23(15-24-28(35)30-19(5)27(34)31-24)22-14-20(11-9-17(2)3)13-21(25(22)32-26)12-10-18(4)16-33/h8-10,13-14,19,24,32-33H,1,11-12,15-16H2,2-7H3,(H,30,35)(H,31,34)/b18-10-/t19-,24-/m0/s1

InChIKey: MVKGYZYBPOAFAE-CAASMHESSA-N

Reference

Indolediketopiperazine Alkaloids from Eurotium cristatum EN-220, an Endophytic Fungus Isolated from the Marine Alga Sargassum thunbergii

PubChem CID: 139590421

LOTUS: LTS0204698

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NPAtlas: NPA023129

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sargassum thunbergii	Sargassum	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota

Properties Information

Molecule Weight: 477.6490000000003

TPSA？: 101.20000000000002

MolLogP？: 5.847500000000006

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi