Leptosin G1
AlkaPlorer ID: AK061717
Synonym: None
IUPAC Name: (1S,2S,3R,11S,14S)-2-hydroxy-14-(hydroxymethyl)-3-[(1S,2S,3S,11R,14S)-2-hydroxy-19-methyl-13,18-dioxo-14-propan-2-yl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-trien-3-yl]-19-methyl-15,16,17-trithia-10,12,19-triazapentacyclo[12.3.2.01,12.03,11.04,9]nonadeca-4,6,8-triene-13,18-dione
Structure
SMILES: CC(C)[C@@]12SSS[C@]3(C(=O)N1C)[C@@H](O)[C@]1([C@]45C6=CC=CC=C6N[C@H]4N4C(=O)[C@]6(CO)SSS[C@]4(C(=O)N6C)[C@H]5O)C4=CC=CC=C4N[C@@H]1N3C2=O
InChI: InChI=1S/C32H32N6O7S6/c1-14(2)30-26(45)38-22-29(16-10-6-8-12-18(16)34-22,20(41)32(38,49-51-47-30)25(44)36(30)4)28-15-9-5-7-11-17(15)33-21(28)37-23(42)27(13-39)35(3)24(43)31(37,19(28)40)48-50-46-27/h5-12,14,19-22,33-34,39-41H,13H2,1-4H3/t19-,20-,21-,22+,27-,28-,29+,30-,31-,32-/m0/s1
InChIKey: FNGREQNWOPPQJI-OWDCXDQNSA-N
Reference
Cytotoxic metabolites from a fungal adherent of a marine alga
PubChem CID: 10101892
LOTUS: LTS0008159
SuperNatural Ⅲ: SN0090303-02
{NPAtlas: NPA015163
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptosphaeria sp. | Leptosphaeria | Leptosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 805.0450000000001
TPSA？: 165.99
MolLogP？: 2.2357
Number of H-Donors: 5
Number of H-Acceptors: 15
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|