Obyanamide
AlkaPlorer ID: AK036276
Synonym: None
IUPAC Name: (2S,5S,8S,11S,15S)-5-benzyl-15-ethyl-2,6,9,11-tetramethyl-8-propan-2-yl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone
Structure
SMILES: CC[C@H]1CC(=O)O[C@@H](C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(O)=N[C@@H](C)C2=NC(=CS2)C(O)=N1
InChI: InChI=1S/C30H41N5O6S/c1-8-21-15-24(36)41-19(5)29(39)35(7)25(17(2)3)30(40)34(6)23(14-20-12-10-9-11-13-20)27(38)31-18(4)28-33-22(16-42-28)26(37)32-21/h9-13,16-19,21,23,25H,8,14-15H2,1-7H3,(H,31,38)(H,32,37)/t18-,19-,21-,23-,25-/m0/s1
InChIKey: HTERYHQTEBIQTA-USLAZGEGSA-N
Reference
PubChem CID: 636989
LOTUS: LTS0108787
SuperNatural Ⅲ: SN0134777-02
NPASS: NPC122427
{NPAtlas: NPA016108
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya confervoides | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 599.7540000000002
TPSA？: 144.99
MolLogP？: 4.131900000000003
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 0.58 | ug.mL-1 | 10.1021/np0102253 |
| Homo sapiens | LoVo | IC50 | 3.14 | ug.mL-1 | 10.1021/np0102253 |