Viriplanin A
AlkaPlorer ID: AK116735
Synonym: None
IUPAC Name: (E)-4-[6-[6-[6-[6-[[(1R,10S,12R,13R,21S,23S,24S)-24-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-nitrosooxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-23-(dimethylamino)-4,8,12-trihydroxy-13-methoxycarbonyl-1,12-dimethyl-6,17-dioxo-25-oxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaen-10-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-2,4-dimethyl-4-nitrosooxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-3-methyl-4-oxobut-2-enoic acid
Structure
SMILES: COC(=O)[C@@H]1C2=CC3=C(C(=O)C4=C(O)C=C5C(=C4C3=O)C[C@H]3C[C@H](N(C)C)[C@H](OC4CC(O)C(OC6CC(C)(N=O)C(OC7CC(O)C(O)C(C)O7)C(C)O6)C(C)O4)[C@]5(C)O3)C(O)=C2[C@@H](OC2CC(O)C(OC3CC(O)C(OC4CC(C)(N=O)C(OC5CC(OC)C(OC(=O)/C(C)=C/C(=O)O)C(C)O5)C(C)O4)C(C)O3)C(C)O2)C[C@@]1(C)O
InChI: InChI=1S/C80H111N3O34/c1-30(17-51(89)90)75(95)116-71-35(6)106-56(26-49(71)100-15)114-73-37(8)108-58(29-78(73,10)82-99)111-69-33(4)104-53(24-47(69)87)110-68-32(3)103-52(23-46(68)86)109-50-27-79(11,97)63(76(96)101-16)40-20-41-61(66(93)59(40)50)67(94)62-44(84)21-42-39(60(62)65(41)92)18-38-19-43(83(13)14)74(80(42,12)117-38)115-55-25-48(88)70(34(5)105-55)112-57-28-77(9,81-98)72(36(7)107-57)113-54-22-45(85)64(91)31(2)102-54/h17,20-21,31-38,43,45-50,52-58,63-64,68-74,84-88,91,93,97H,18-19,22-29H2,1-16H3,(H,89,90)/b30-17+/t31?,32?,33?,34?,35?,36?,37?,38-,43-,45?,46?,47?,48?,49?,50-,52?,53?,54?,55?,56?,57?,58?,63-,64?,68?,69?,70?,71?,72?,73?,74-,77?,78?,79+,80+/m0/s1
InChIKey: BYKZIESBUJUBPO-DQCTYACXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes regularis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1658.755
TPSA？: 495.6600000000002
MolLogP？: 3.900500000000021
Number of H-Donors: 9
Number of H-Acceptors: 36
RingCount: 13
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|