Bistramide C
AlkaPlorer ID: AK051814
Synonym: ''
IUPAC Name: (2S,3R)-N-[3-[(2R,3S,6S,8S)-8-[(E,3S)-3,5-dimethyl-6-oxohept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-3-hydroxy-2-methyl-4-[[2-[(2S,3S,6R)-3-methyl-6-[(E)-2-oxopent-3-enyl]oxan-2-yl]acetyl]amino]butanamide
Structure
SMILES: C/C=C/C(=O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@H](CC[C@H](C)/C=C(\C)C(C)=O)O3)CC[C@@H]2C)O1
InChI: InChI=1S/C40H66N2O8/c1-8-11-32(44)23-34-17-15-27(3)37(48-34)24-38(46)42-25-35(45)30(6)39(47)41-21-10-13-36-28(4)18-20-40(50-36)19-9-12-33(49-40)16-14-26(2)22-29(5)31(7)43/h8,11,22,26-28,30,33-37,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,33-,34+,35-,36+,37-,40-/m0/s1
InChIKey: WFVNZHRELNLEFI-ZMEWJFTKSA-N
Reference
Bistramides A, B, C, D, and K: A New Class of Bioactive Cyclic Polyethers from Lissoclinum bistratum
PubChem CID: 11366040
LOTUS: LTS0157806
NPASS: NPC473578
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lissoclinum bistratum | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 702.9740000000003
TPSA？: 140.26
MolLogP？: 6.137200000000005
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HT-29 | IC50 | 0.5 | ug.mL-1 | 10.1021/np50112a002 |
| Homo sapiens | KB | IC50 | 0.65 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | B16 | IC50 | 0.06 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | P388 | IC50 | 0.02 | ug.mL-1 | 10.1021/np50112a002 |
| Mus musculus | P388 | IC50 | 0.05 | ug.mL-1 | 10.1021/np50112a002 |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np50112a002 |
| None | NON-PROTEIN TARGET | IC50 | 0.05 | ug.mL-1 | 10.1021/np50112a002 |