Bistratamide E
AlkaPlorer ID: AK059232
Synonym: None
IUPAC Name: (4S,7R,8S,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),12(23),14,19(22)-pentaene-2,9,16-trione
Structure
SMILES: CC(C)[C@@H]1NC(=O)C2=CSC(=N2)[C@H](C(C)C)NC(=O)C2=CSC(=N2)[C@H](C(C)C)NC(=O)[C@H]2N=C1O[C@@H]2C
InChI: InChI=1S/C25H34N6O4S2/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/h8-13,16-19H,1-7H3,(H,28,32)(H,29,33)(H,30,34)/t13-,16+,17+,18+,19+/m1/s1
InChIKey: USFFWHGVKNECEY-RUZYHRDJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 546.7190000000002
TPSA？: 134.67000000000002
MolLogP？: 3.493800000000002
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 | 7.9 | ug.mL-1 | 10.1021/np0204601 |