Lobocyclamide C
AlkaPlorer ID: AK011344
Synonym: None
IUPAC Name: 3-[(3S,6R,9S,12R,15R,18S,21R,24S,28R,31S,34R,37S,39R)-9-butan-2-yl-6-[(1R)-1,2-dihydroxyethyl]-39-hydroxy-3,31-bis[(1R)-1-hydroxyethyl]-15,21-bis[(1S)-1-hydroxy-2-methylpropyl]-10,18-dimethyl-34-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,30,33,36-dodecaoxo-28-pentyl-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: CCCCC[C@@H]1CC(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H]([C@@H](O)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N(C)[C@@H](C(C)CC)C(=O)N[C@H]([C@@H](O)CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChI: InChI=1S/C63H111N13O20/c1-16-18-19-20-36-24-43(83)69-44(29(5)6)56(89)74-48(51(84)30(7)8)59(92)65-33(12)53(86)73-49(52(85)31(9)10)60(93)67-38(21-22-42(64)82)62(95)75(15)50(32(11)17-2)61(94)72-47(41(81)27-77)58(91)71-46(35(14)79)63(96)76-26-37(80)25-40(76)55(88)68-39(23-28(3)4)54(87)70-45(34(13)78)57(90)66-36/h28-41,44-52,77-81,84-85H,16-27H2,1-15H3,(H2,64,82)(H,65,92)(H,66,90)(H,67,93)(H,68,88)(H,69,83)(H,70,87)(H,71,91)(H,72,94)(H,73,86)(H,74,89)/t32?,33-,34+,35+,36+,37+,38+,39+,40-,41-,44-,45-,46-,47+,48+,49+,50-,51-,52-/m0/s1
InChIKey: IEELHQHOEPWJSV-XSAXUJGHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya confervoides | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1370.6519999999998
TPSA？: 516.3199999999999
MolLogP？: -5.210600000000017
Number of H-Donors: 18
Number of H-Acceptors: 20
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|