Palmyramide A
AlkaPlorer ID: AK001445
Synonym: None
IUPAC Name: (3S,6S,10R,13S,16R,19S)-3-benzyl-6,9,9,17-tetramethyl-13,16-di(propan-2-yl)-10-propyl-4,7,11-trioxa-1,14,17-triazabicyclo[17.3.0]docosane-2,5,8,12,15,18-hexone
Structure
SMILES: CCC[C@H]1OC(=O)[C@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C)OC(=O)C1(C)C
InChI: InChI=1S/C36H53N3O9/c1-10-15-27-36(7,8)35(45)46-23(6)33(43)47-26(20-24-16-12-11-13-17-24)32(42)39-19-14-18-25(39)31(41)38(9)29(22(4)5)30(40)37-28(21(2)3)34(44)48-27/h11-13,16-17,21-23,25-29H,10,14-15,18-20H2,1-9H3,(H,37,40)/t23-,25-,26-,27+,28-,29+/m0/s1
InChIKey: QXWOTWUQMDHDCF-UEPNLWJJSA-N
Reference
PubChem CID: 45380200
LOTUS: LTS0030995
SuperNatural Ⅲ: SN0318130-01
NPASS: NPC145113
{NPAtlas: NPA017823
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 671.8320000000002
TPSA？: 148.62
MolLogP？: 3.4391000000000043
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NCI-H460 | IC50 | 39700.0 | nM | 10.1021/np900428h |
| None | Unchecked | IC50 | 17200.0 | nM | 10.1021/np900428h |