12β-hydroxyverruculogen TR-2
AlkaPlorer ID: AK018124
Synonym: None
IUPAC Name: (1S,2S,12S,15S)-1,2-dihydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-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]3O
InChI: InChI=1S/C22H27N3O6/c1-21(2,29)10-15-17-16(12-7-6-11(31-3)9-13(12)23-17)18(26)22(30)20(28)24-8-4-5-14(24)19(27)25(15)22/h6-7,9,14-15,18,23,26,29-30H,4-5,8,10H2,1-3H3/t14-,15-,18-,22-/m0/s1
InChIKey: PIWNJAZCHHBADQ-FEHLYQECSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium brasilianum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 429.4730000000002
TPSA？: 126.33
MolLogP？: 0.9473999999999998
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria alternata | Alternaria alternata | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Alternaria solani | Alternaria solani | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Artemia salina | Artemia salina | LC50 | 73.2 | ug.mL-1 | 10.1021/jf300146n |
| Botrytis cinerea | Botrytis cinerea | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Colletotrichum gloeosporioides | Colletotrichum gloeosporioides | MIC | 25.0 | ug.mL-1 | 10.1021/jf300146n |
| Fusarium graminearum | Fusarium graminearum | MIC | 25.0 | 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 |