Molecule

Fumiquinazoline A

AlkaPlorer ID: AK022295

Synonym: None

IUPAC Name: (1S,4R)-4-[[(2S,3aS,4S)-4-hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-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)=N[C@@H](C)C2=NC3=CC=CC=C3C(=O)N21

InChI: InChI=1S/C24H23N5O4/c1-12-19-27-16-9-5-3-7-14(16)22(32)28(19)18(20(30)25-12)11-24(33)15-8-4-6-10-17(15)29-21(31)13(2)26-23(24)29/h3-10,12-13,18,23,26,33H,11H2,1-2H3,(H,25,30)/t12-,13-,18+,23-,24-/m0/s1

InChIKey: DQQCCKFZJNINST-VCPZKGNQSA-N

Reference

Metabolites from <i>Aspergillus fumigatus</i>, an Endophytic Fungus Associated with <i>Melia azedarach</i>, and Their Antifungal, Antifeedant, and Toxic Activities

PubChem CID: 10026626

LOTUS: LTS0099247

SuperNatural Ⅲ: SN0072821-03

NPASS: NPC225400

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NPAtlas: NPA005162

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus fumigatus	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Peucedanum terebinthaceum	Peucedanum	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 445.47900000000016

TPSA？: 120.05

MolLogP？: 1.911

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Alternaria alternata	Alternaria alternata	MIC	12.5	ug.mL-1	10.1021/jf300146n
Alternaria solani	Alternaria solani	MIC	12.5	ug.mL-1	10.1021/jf300146n
Artemia salina	Artemia salina	LC50	39.7	ug.mL-1	10.1021/jf300146n
Botrytis cinerea	Botrytis cinerea	MIC	12.5	ug.mL-1	10.1021/jf300146n
Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	MIC	12.5	ug.mL-1	10.1021/jf300146n
Fusarium graminearum	Fusarium graminearum	MIC	12.5	ug.mL-1	10.1021/jf300146n
Fusarium oxysporum f. sp. niveum	Fusarium oxysporum f. sp. niveum	MIC	25.0	ug.mL-1	10.1021/jf300146n
Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	MIC	50.0	ug.mL-1	10.1021/jf300146n
Fusarium solani	Fusarium solani	MIC	50.0	ug.mL-1	10.1021/jf300146n
Mythimna separata	Mythimna separata	AFI	45.0	%	10.1021/jf300146n

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT013013	C[C@@H]1NC(=O)[C@@H](C[C@]2(O)c3ccccc3NC2O)n2c1nc1ccccc1c2=O.C[C@H](N)C(=O)O>>C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21	RXN-15748
AKRT013023	C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1C(=O)N[C@@H](C)c2nc3ccccc3c(=O)n21>>C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H]2C(=O)N[C@@](C)(O1)c1nc3ccccc3c(=O)n12	RXN-15749