Molecule

Versiquinazoline D

AlkaPlorer ID: AK074094

Synonym: None

IUPAC Name: (4S)-4-[[(2S,3aR,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione

Structure

SMILES: C[C@@H]1N[C@@H]2N(C1=O)C1=CC=CC=C1[C@@]2(O)C[C@H]1C(=O)NCC2=NC3=CC=CC=C3C(=O)N21

InChI: InChI=1S/C23H21N5O4/c1-12-20(30)28-16-9-5-3-7-14(16)23(32,22(28)25-12)10-17-19(29)24-11-18-26-15-8-4-2-6-13(15)21(31)27(17)18/h2-9,12,17,22,25,32H,10-11H2,1H3,(H,24,29)/t12-,17-,22+,23-/m0/s1

InChIKey: MTEROBSPCYFSHO-KBTNCMFCSA-N

Reference

Versiquinazolines A–K, Fumiquinazoline-Type Alkaloids from the Gorgonian-Derived Fungus <i>Aspergillus versicolor</i> LZD-14-1

PubChem CID: 137659960

LOTUS: LTS0213264

NPASS: NPC485799

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NPAtlas: NPA022086

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus versicolor	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 431.45200000000017

TPSA？: 116.56000000000004

MolLogP？: 0.5096999999999994

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	50000.0	nM	10.1021/acs.jnatprod.6b00801
Homo sapiens	A549	IC50	50000.0	nM	10.1021/acs.jnatprod.6b00801
None	Unchecked	Inhibition	27.0	%	10.1021/acs.jnatprod.6b00801