(3S,6R,9R,12S,15R,18S,24R,28S,31Z,35R,36aS)-6-benzyl-12,15-bis[(2R)-butan-2-yl]-31-ethylidene-24-heptyl-35-hydroxy-3,28-bis(2-hydroxyethyl)-9,18-bis(2-methylpropyl)-tetracosahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotetratriacontan-1,
AlkaPlorer ID: AK560501
Synonym: None
IUPAC Name: 28-benzyl-19,22-di(butan-2-yl)-3-ethylidene-10-heptyl-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-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: CC=C1N=C(O)C(CCO)N=C(O)CC(CCCCCCC)N=C(O)CN=C(O)C(CC(C)C)N=C(O)C(C(C)CC)N=C(O)C(C(C)CC)N=C(O)C(CC(C)C)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CCO)N=C(O)C2CC(O)CN2C1=O
InChI: InChI=1S/C62H101N11O14/c1-11-15-16-17-21-24-41-32-50(77)65-44(25-27-74)55(80)66-43(14-4)62(87)73-35-42(76)33-49(73)59(84)67-45(26-28-75)56(81)69-48(31-40-22-19-18-20-23-40)57(82)68-47(30-37(7)8)58(83)71-53(39(10)13-3)61(86)72-52(38(9)12-2)60(85)70-46(29-36(5)6)54(79)63-34-51(78)64-41/h14,18-20,22-23,36-39,41-42,44-49,52-53,74-76H,11-13,15-17,21,24-35H2,1-10H3,(H,63,79)(H,64,78)(H,65,77)(H,66,80)(H,67,84)(H,68,82)(H,69,81)(H,70,85)(H,71,83)(H,72,86)
InChIKey: WNBDJWWVEUXKFZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anabaena laxa | Anabaena | Nostocaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1224.5530000000003
TPSA？: 406.9
MolLogP？: 9.321900000000005
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|