11′-deoxyverticillin A
AlkaPlorer ID: AK007918
Synonym: None
IUPAC Name: (1S,2S,3S,11R,14S)-3-[(1S,3R,11R,14S)-14,18-dimethyl-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]-2-hydroxy-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)[C@@]23C[C@]4([C@@]56C7=CC=CC=C7N[C@@H]5N5C(=O)[C@]7(C)SS[C@]5(C(=O)N7C)[C@H]6O)C5=CC=CC=C5N[C@@H]4N2C(=O)[C@]1(C)SS3
InChI: InChI=1S/C30H28N6O5S4/c1-25-21(38)35-19-27(14-9-5-7-11-16(14)31-19,13-28(35,44-42-25)23(40)33(25)3)29-15-10-6-8-12-17(15)32-20(29)36-22(39)26(2)34(4)24(41)30(36,18(29)37)45-43-26/h5-12,18-20,31-32,37H,13H2,1-4H3/t18-,19+,20+,25-,26-,27-,28-,29+,30-/m0/s1
InChIKey: IMORFARNICQOLW-MTBOUJTPSA-N
Reference
PubChem CID: 146684982
LOTUS: LTS0072160
SuperNatural Ⅲ: SN0149610-04
{NPAtlas: NPA029032
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 680.8590000000002
TPSA？: 125.53
MolLogP？: 2.3600000000000003
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|