Lyngbyastatin 3
AlkaPlorer ID: AK114507
Synonym: ''
IUPAC Name: (2S,8R,14S,17R,20R,25R,28R,29S)-8-[(2R)-butan-2-yl]-2-[(2S)-butan-2-yl]-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,24,25,29-nonamethyl-14,28-di(propan-2-yl)-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Structure
SMILES: CC[C@@H](C)[C@@H]1C(O)=NCC(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@H](CC2=CC=C(OC)C=C2)C(O)=N[C@H](C)C(=O)C(C)(C)C(=O)N(C)[C@H](C)C(O)=N[C@H](C(C)C)[C@H](C)C(=O)O[C@@H]([C@@H](C)CC)C(O)=NCC(=O)N1C
InChI: InChI=1S/C52H84N8O12/c1-19-30(7)42-47(66)53-26-38(61)59(16)41(29(5)6)49(68)58(15)37(25-35-21-23-36(71-18)24-22-35)46(65)55-33(10)44(63)52(12,13)51(70)57(14)34(11)45(64)56-40(28(3)4)32(9)50(69)72-43(31(8)20-2)48(67)54-27-39(62)60(42)17/h21-24,28-34,37,40-43H,19-20,25-27H2,1-18H3,(H,53,66)(H,54,67)(H,55,65)(H,56,64)/t30-,31+,32+,33-,34-,37-,40-,41+,42-,43+/m1/s1
InChIKey: YTUBTPPQEUMFAJ-TUVMJWIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Blennothrix cantharidosma | Blennothrix | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1013.2879999999996
TPSA？: 264.2
MolLogP？: 5.709700000000012
Number of H-Donors: 4
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|