Chem
J-GLOBAL ID：200907080887374280   Nikkaji number：J13.354J

Plicamycin

プリカマイシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C52H76O24
Molecular formula furigana： C52-H76-O24
Molecular weight： 1085.156
InChI： InChI=1S/C52H76O24/c1-18-30(72-35-15-31(43(59)21(4)68-35)73-33-13-28(54)42(58)20(3)67-33)12-26-10-25-11-27(49(66-9)47(63)41(57)19(2)53)50(46(62)39(25)45(61)38(26)40(18)56)75-36-16-32(44(60)22(5)69-36)74-34-14-29(55)48(23(6)70-34)76-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-29,31-37,41-44,48-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,29-,31+,32-,33+,34-,35+,36+,37+,41+,42-,43-,44-,48+,49+,50+,51-,52+/m1/s1
InChI key： XDKMHMINQXATOR-MFBNJKTDSA-N
SMILES： CO[C@@H]([C@@H]1Cc2cc3cc(O[C@H]4C[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](O)[C@@H](C)O4)c(C)c(O)c3c(O)c2C(=O)[C@H]1O[C@H]1C[C@@H](O[C@@H]2C[C@@H](O)[C@@H](O[C@H]3C[C@](C)(O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@H](O)[C@@H](C)O1)C(=O)[C@@H](O)[C@@H](C)O
Systematic name  (3)：
  • (2S,3S)-6-[[2,6-ジデオキシ-3-O-(2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル)-β-D-arabino-ヘキソピラノシル]オキシ]-2-[[3-O-[4-O-(2,6-ジデオキシ-3-メチル-β-D-ribo-ヘキソピラノシル)-2,6-ジデオキシ-α-D-lyxo-ヘキソピラノシル]-2,6-ジデオキシ-β-D-arabino-ヘキソピラノシル]オキシ]-3-[(1S,3S,4R)-3,4-ジヒドロキシ-1-メトキシ-2-オキソペンチル]-3,4-ジヒドロ-8,9-ジヒドロキシ-7-メチル-1(2H)-アントラセノン
  • (2S,3S)-3-[(1S,3S,4R)-3,4-ジヒドロキシ-1-メトキシ-2-オキソペンチル]-2-{[(2S,4R,5R,6R)-4-{[(2R,4R,5R,6R)-5-{[(2S,4S,5R,6R)-4,5-ジヒドロキシ-4,6-ジメチルオキサン-2-イル]オキシ}-4-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-6-{[(2S,4S,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-ジヒドロキシ-6-メチルオキサン-2-イル]オキシ}-5-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-8,9-ジヒドロキシ-7-メチル-1,2,3,4-テトラヒドロアントラセン-1-オン
  • (2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2R,4R,5R,6R)-5-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4S,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one
Other name (1)：
  • (2S,3S)-6-[[2,6-Dideoxy-3-O-(2,6-dideoxy-β-D-arabino-hexopyranosyl)-β-D-arabino-hexopyranosyl]oxy]-2-[[3-O-[4-O-(2,6-dideoxy-3-methyl-β-D-ribo-hexopyranosyl)-2,6-dideoxy-α-D-lyxo-hexopyranosyl]-2,6-dideoxy-β-D-arabino-hexopyranosyl]oxy]-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-3,4-dihydro-8,9-dihydroxy-7-methyl-1(2H)-anthracenone
KEGG DRUG： D00468
KEGG COMPOUND： C12389
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