Anantin
AlkaPlorer ID: AK036708
Synonym: 'Anantin'
IUPAC Name: 3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[[5-benzyl-8-butan-2-yl-3,6,9,12,15,18,21,25-octahydroxy-20-(2-hydroxy-2-iminoethyl)-14-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclopentacosa-3,6,9,12,15,18,21,25-octaen-23-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-2-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-4-(1-carboxy-2-phenylethyl)imino-4-hydroxybutanoic acid
Structure
SMILES: CCC(C)C1N=C(O)C(CC2=CC=CC=C2)N=C(O)CN=C(O)CC(C(O)=NC(C(O)=NC(CC2=CC=CC=C2)C(O)=NCC(O)=NC(CC2=NC=CN2)C(O)=NC(CC2=CC=C(O)C=C2)C(O)=NC(CO)C(O)=NCC(O)=NC(CC(=O)O)C(O)=NC(CC2=CC=CC=C2)C(=O)O)C(C)CC)N=C(O)C(CC(=N)O)N=C(O)CN=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)CN=C1O
InChI: InChI=1S/C90H111N21O24/c1-5-48(3)77-88(132)99-46-75(120)101-61(36-54-41-94-57-25-17-16-24-56(54)57)80(124)97-43-72(117)102-62(37-68(91)114)83(127)106-64(39-70(115)95-42-71(116)100-59(86(130)110-77)33-51-20-12-8-13-21-51)87(131)111-78(49(4)6-2)89(133)107-58(32-50-18-10-7-11-19-50)79(123)96-44-73(118)103-63(38-69-92-30-31-93-69)84(128)105-60(34-53-26-28-55(113)29-27-53)82(126)109-67(47-112)81(125)98-45-74(119)104-65(40-76(121)122)85(129)108-66(90(134)135)35-52-22-14-9-15-23-52/h7-31,41,48-49,58-67,77-78,94,112-113H,5-6,32-40,42-47H2,1-4H3,(H2,91,114)(H,92,93)(H,95,115)(H,96,123)(H,97,124)(H,98,125)(H,99,132)(H,100,116)(H,101,120)(H,102,117)(H,103,118)(H,104,119)(H,105,128)(H,106,127)(H,107,133)(H,108,129)(H,109,126)(H,110,130)(H,111,131)(H,121,122)(H,134,135)
InChIKey: HRBHNVYMFUKZPZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coerulescens | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1871.0010000000009
TPSA？: 757.6400000000003
MolLogP？: 10.009170000000012
Number of H-Donors: 25
Number of H-Acceptors: 23
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|