Verticillin A; 19-Hydroxy
AlkaPlorer ID: AK317590
Synonym: Verticillin B
IUPAC Name: 2-hydroxy-3-[2-hydroxy-14-(hydroxymethyl)-18-methyl-13,17-dioxo-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-trien-3-yl]-14,18-dimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
Structure
SMILES: CN1C(=O)C23SSC1(C)C(=O)N2C1NC2=CC=CC=C2C1(C12C4=CC=CC=C4NC1N1C(=O)C4(CO)SSC1(C(=O)N4C)C2O)C3O
InChI: InChI=1S/C30H28N6O7S4/c1-25-21(40)35-19-27(13-8-4-6-10-15(13)31-19,17(38)29(35,46-44-25)23(42)33(25)2)28-14-9-5-7-11-16(14)32-20(28)36-22(41)26(12-37)34(3)24(43)30(36,18(28)39)47-45-26/h4-11,17-20,31-32,37-39H,12H2,1-3H3
InChIKey: YABFNIMWFFFBHC-UHFFFAOYSA-N
Reference
Studies on the metabolites of Verticillium sp. Structures of verticillins A, B, and C
PubChem CID: 73656858
CAS: 52212-86-9
LOTUS: LTS0129516
COCONUT: CNP0106729.4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nectria inventa | Nectria | Nectriaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 712.8570000000003
TPSA？: 165.99
MolLogP？: 0.3031999999999997
Number of H-Donors: 5
Number of H-Acceptors: 13
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|