Leptosin I
AlkaPlorer ID: AK060805
Synonym: None
IUPAC Name: (1R,2R,4R,7S,10R,18S,19R,27S,30R,37R)-37-hydroxy-7-(hydroxymethyl)-6,36-dimethyl-30-propan-2-yl-3-oxa-31,32,33,34-tetrathia-6,9,11,26,28,36-hexazadecacyclo[28.4.2.14,18.01,28.02,19.04,9.010,18.012,17.019,27.020,25]heptatriaconta-12,14,16,20,22,24-hexaene-5,8,29,35-tetrone
Structure
SMILES: CC(C)[C@]12SSSS[C@@]3(C(=O)N1C)[C@@H]1O[C@]45C(=O)N(C)[C@@H](CO)C(=O)N4[C@H]4NC6=CC=CC=C6[C@]4([C@H]5O)[C@@]14C1=CC=CC=C1N[C@H]4N3C2=O
InChI: InChI=1S/C32H32N6O7S4/c1-14(2)31-27(44)38-24-29(16-10-6-8-12-18(16)34-24)22(32(38,26(43)36(31)4)47-49-48-46-31)45-30-21(41)28(29)15-9-5-7-11-17(15)33-23(28)37(30)20(40)19(13-39)35(3)25(30)42/h5-12,14,19,21-24,33-34,39,41H,13H2,1-4H3/t19-,21+,22+,23+,24-,28+,29-,30+,31+,32+/m0/s1
InChIKey: PZFMMBJJDMZAIP-ZHAQRSJSSA-N
Reference
PubChem CID: 139586840
LOTUS: LTS0267755
SuperNatural Ⅲ: SN0299123-03
{NPAtlas: NPA013519
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leptosphaeria sp. | Leptosphaeria | Leptosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 740.9110000000002
TPSA？: 154.99
MolLogP？: 1.5509
Number of H-Donors: 4
Number of H-Acceptors: 13
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|