Bistratamide H
AlkaPlorer ID: AK059257
Synonym: None
IUPAC Name: (4S,11S,18S)-7-methyl-4,11,18-tri(propan-2-yl)-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
Structure
SMILES: CC1=C2N=C(O1)[C@H](C(C)C)NC(=O)C1=CSC(=N1)[C@H](C(C)C)NC(=O)C1=CSC(=N1)[C@H](C(C)C)NC2=O
InChI: InChI=1S/C25H32N6O4S2/c1-10(2)16-23-31-19(13(7)35-23)22(34)30-18(12(5)6)25-27-15(9-37-25)21(33)29-17(11(3)4)24-26-14(8-36-24)20(32)28-16/h8-12,16-18H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t16-,17-,18-/m0/s1
InChIKey: YGMRMAIELLDBHQ-BZSNNMDCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 544.7030000000002
TPSA？: 139.11
MolLogP？: 4.590720000000004
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 1.7 | ug.mL-1 | 10.1021/np0204601 |