UNPD24496
AlkaPlorer ID: AK335208
Synonym: None
IUPAC Name: (3E,6R,10S,16R,19R,22S,28S,34S)-28-benzyl-19,22-di(butan-2-yl)-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone
Structure
SMILES: C/C=C1/N=C(O)[C@@H](CCO)N=C(O)C[C@H](CCCCC)N=C(O)CN=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](C(C)CC)N=C(O)[C@H](C(C)CC)N=C(O)C(CC(C)C)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)C(CCO)N=C(O)[C@@H]2CC(O)CN2C1=O
InChI: InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14+/t36?,37?,39-,40?,42+,43?,44+,45?,46-,47-,50+,51-/m0/s1
InChIKey: AQBJITSSPIIUAM-CPMQYNAWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena laxa | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1196.499
TPSA？: 406.9
MolLogP？: 8.541700000000008
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|