Molecule

1-hydroxy-4-({9-hydroxy-2,2-dimethyl-3-oxo-1H,2H,3H,9H,9aH-imidazo[1,2-a]indol-9-yl}methyl)-1-(propan-2-yl)-1H,2H,3H,4H,6H-pyrazino[2,1-b]quinazoline-3,6-dione

AlkaPlorer ID: AK041169

Synonym: None

IUPAC Name: (1R,4S)-4-[[(3aR,4R)-4-hydroxy-2,2-dimethyl-1-oxo-3,3a-dihydroimidazo[1,2-a]indol-4-yl]methyl]-1-hydroxy-1-propan-2-yl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione

Structure

SMILES: CC(C)[C@]1(O)NC(=O)[C@H](C[C@@]2(O)C3=CC=CC=C3N3C(=O)C(C)(C)N[C@H]32)N2C1=NC1=CC=CC=C1C2=O

InChI: InChI=1S/C27H29N5O5/c1-14(2)27(37)23-28-17-11-7-5-9-15(17)21(34)31(23)19(20(33)29-27)13-26(36)16-10-6-8-12-18(16)32-22(26)30-25(3,4)24(32)35/h5-12,14,19,22,30,36-37H,13H2,1-4H3,(H,29,33)/t19-,22+,26+,27+/m0/s1

InChIKey: ZCTHXQVUJKDGDA-RJEIYNTCSA-N

Reference

Hydrolyzable Tannins of Tamaricaceous Plants. 7.1 Structures and Cytotoxic Properties of Oligomeric Ellagitannins from Leaves of <i>Tamarix nilotica</i> and Cultured Tissues of <i>Tamarix tetrandra</i>

PubChem CID: 100640977

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 503.55900000000025

TPSA？: 136.79000000000002

MolLogP？: 1.2009

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi