Trikoramide A
AlkaPlorer ID: AK124312
Synonym: None
IUPAC Name: (3S,9S,12S,18S,21S,27S,36S,39S,42S,44S,52S)-36-benzyl-44-(3-methylbut-2-enyl)-18,27,39-tris(2-methylpropyl)-9-propan-2-yl-1,7,10,16,19,25,28,34,37,40,51-undecazaoctacyclo[40.10.0.03,7.012,16.021,25.030,34.044,52.045,50]dopentaconta-45,47,49-triene-2,8,11,17,20,26,29,35,38,41-decone
Structure
SMILES: CC(C)=CC[C@@]12C[C@H]3C(O)=N[C@@H](CC(C)C)C(O)=N[C@@H](CC4=CC=CC=C4)C(=O)N4CCCC4C(O)=N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(O)=N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(O)=N[C@@H](C(C)C)C(=O)N4CCC[C@H]4C(=O)N3[C@@H]1NC1=CC=CC=C12
InChI: InChI=1S/C68H97N11O10/c1-39(2)28-29-68-38-55-61(84)69-47(34-40(3)4)57(80)70-50(37-44-20-12-11-13-21-44)64(87)76-31-17-25-52(76)59(82)71-48(35-41(5)6)62(85)75-30-16-24-51(75)58(81)72-49(36-42(7)8)63(86)77-32-18-26-53(77)60(83)74-56(43(9)10)66(89)78-33-19-27-54(78)65(88)79(55)67(68)73-46-23-15-14-22-45(46)68/h11-15,20-23,28,40-43,47-56,67,73H,16-19,24-27,29-38H2,1-10H3,(H,69,84)(H,70,80)(H,71,82)(H,72,81)(H,74,83)/t47-,48-,49-,50-,51-,52?,53-,54-,55-,56-,67-,68-/m0/s1
InChIKey: MZDZNXTVCVUCNV-SEPHMDQTSA-N
Reference
Trikoramide A, a Prenylated Cyanobactin from the Marine Cyanobacterium <i>Symploca hydnoides</i>
PubChem CID: 145721317
LOTUS: LTS0270894
{NPAtlas: NPA025564
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cyanobacterium | Geminocystaceae | Chroococcales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1228.5909999999997
TPSA？: 276.53
MolLogP？: 9.273300000000008
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|