Laxaphycin B
AlkaPlorer ID: AK000354
Synonym: None
IUPAC Name: 3-[(3S,6R,15R,21S,24S,28R,31S,37S)-6-[(1R)-2-amino-1-hydroxy-2-oxoethyl]-9-[(2S)-butan-2-yl]-28-heptyl-31-(1-hydroxyethyl)-3-[(1R)-1-hydroxyethyl]-21-[(1S)-1-hydroxy-2-methylpropyl]-15-(1-hydroxy-2-methylpropyl)-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-24-propan-2-yl-1,4,7,10,13,16,19,22,25,29,32,35-dodecazabicyclo[35.3.0]tetracontan-12-yl]propanamide
Structure
SMILES: CCCCCCC[C@@H]1CC(O)=N[C@@H](C(C)C)C(O)=N[C@@H]([C@@H](O)C(C)C)C(O)=NC(C)C(O)=N[C@H](C(O)C(C)C)C(O)=NC(CCC(=N)O)C(=O)N(C)C([C@@H](C)CC)C(O)=N[C@H]([C@@H](O)C(=N)O)C(O)=N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(O)=NC(CC(C)C)C(O)=N[C@@H](C(C)O)C(O)=N1
InChI: InChI=1S/C65H114N14O19/c1-16-18-19-20-21-23-38-29-43(83)72-44(31(5)6)58(91)76-47(51(84)32(7)8)60(93)68-35(12)55(88)75-48(52(85)33(9)10)61(94)70-39(25-26-42(66)82)64(97)78(15)50(34(11)17-2)63(96)77-49(53(86)54(67)87)62(95)74-46(37(14)81)65(98)79-27-22-24-41(79)57(90)71-40(28-30(3)4)56(89)73-45(36(13)80)59(92)69-38/h30-41,44-53,80-81,84-86H,16-29H2,1-15H3,(H2,66,82)(H2,67,87)(H,68,93)(H,69,92)(H,70,94)(H,71,90)(H,72,83)(H,73,89)(H,74,95)(H,75,88)(H,76,91)(H,77,96)/t34-,35?,36?,37+,38+,39?,40?,41-,44-,45-,46-,47-,48+,49+,50?,51-,52?,53+/m0/s1
InChIKey: URYPPVMQQUERGK-IRBJMCNESA-N
Reference
Total Structure and Inhibition of Tumor Cell Proliferation of Laxaphycins
PubChem CID: 22833263
LOTUS: LTS0148801
{NPAtlas: NPA000074
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1395.706
TPSA？: 555.8300000000003
MolLogP？: 6.594740000000018
Number of H-Donors: 19
Number of H-Acceptors: 19
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|