115566-02-4
AlkaPlorer ID: AK026782
Synonym: None
IUPAC Name: (2S,3R)-3-hydroxy-N-[3-[(2R,3S,6S,8S)-8-[(E,3S,6S)-6-hydroxy-3,5-dimethylhept-4-enyl]-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]propyl]-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@H](C)O)O3)CC[C@@H]2C)O1
InChI: InChI=1S/C40H68N2O8/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/h8,11,22,26-28,30-31,33-37,43,45H,9-10,12-21,23-25H2,1-7H3,(H,41,47)(H,42,46)/b11-8+,29-22+/t26-,27-,28-,30-,31-,33-,34+,35-,36+,37-,40-/m0/s1
InChIKey: HXZRMADPDYFMEB-CPBPHPDTSA-N
Reference
Antiproliferative Bistramides from <i>Trididemnum cyclops</i> from Madagascar
PubChem CID: 6420193
LOTUS: LTS0035395
SuperNatural Ⅲ: SN0138538-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trididemnum cyclops | Trididemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 704.9900000000004
TPSA？: 150.39999999999998
MolLogP？: 7.60960000000001
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|