Molecule

12β-hydroxy-13α-methoxyverruculogen TR-2

AlkaPlorer ID: AK045905

Synonym: None

IUPAC Name: (1S,2S,12S,15S)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-2,7-dimethoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Structure

SMILES: COC1=CC=C2C3=C(NC2=C1)[C@H](CC(C)(C)O)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC

InChI: InChI=1S/C23H29N3O6/c1-22(2,29)11-16-18-17(13-8-7-12(31-3)10-14(13)24-18)19(32-4)23(30)21(28)25-9-5-6-15(25)20(27)26(16)23/h7-8,10,15-16,19,24,29-30H,5-6,9,11H2,1-4H3/t15-,16-,19-,23-/m0/s1

InChIKey: IQQGHQDLZFLSGU-YZQOHXRLSA-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: 56954715

LOTUS: LTS0270024

NPASS: NPC470785

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NPAtlas: NPA017996

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
None	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 443.5000000000003

TPSA？: 115.33

MolLogP？: 1.6014999999999997

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Alternaria alternata	Alternaria alternata	MIC	6.25	ug.mL-1	10.1021/jf300146n
Alternaria solani	Alternaria solani	MIC	6.25	ug.mL-1	10.1021/jf300146n
Artemia salina	Artemia salina	LC50	60.7	ug.mL-1	10.1021/jf300146n
Botrytis cinerea	Botrytis cinerea	MIC	6.25	ug.mL-1	10.1021/jf300146n
Colletotrichum gloeosporioides	Colletotrichum gloeosporioides	MIC	6.25	ug.mL-1	10.1021/jf300146n
Fusarium graminearum	Fusarium graminearum	MIC	6.25	ug.mL-1	10.1021/jf300146n
Fusarium oxysporum f. sp. niveum	Fusarium oxysporum f. sp. niveum	MIC	12.5	ug.mL-1	10.1021/jf300146n
Fusarium oxysporum f. sp. vasinfectum	Fusarium oxysporum f. sp. vasinfectum	MIC	25.0	ug.mL-1	10.1021/jf300146n
Fusarium solani	Fusarium solani	MIC	25.0	ug.mL-1	10.1021/jf300146n