None
AlkaPlorer ID: AK324166
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@@H]4CCCN4C(=O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC4=CC=C(O)C=C4)N=C(O)[C@H](C(C)C)N=C(O)[C@@H]4CSSC[C@H](N=C(O)[C@@H](CO)N=C(O)[C@H](CSSC[C@H](N=C(O)[C@@H]5CCCN5C1=O)C(O)=NCC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CO)C(O)=N4)N=C(O)CN=C(O)[C@H](CC(C)C)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H]([C@@H](C)CC)N=C3O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CO)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](C(C)C)C(O)=N2
InChI: InChI=1S/C132H208N36O39S6/c1-16-65(10)101-128(204)166-104(70(15)172)129(205)143-68(13)105(181)142-69(14)106(182)149-79(46-62(4)5)107(183)139-51-96(177)145-87-57-209-208-56-86-109(185)141-50-95(176)144-78(39-40-98(179)180)112(188)154-84(54-170)117(193)157-90-60-212-210-58-88(156-118(194)85(55-171)155-119(87)195)120(196)148-75(26-19-21-41-133)111(187)153-83(53-169)116(192)147-76(27-20-22-42-134)113(189)162-100(64(8)9)127(203)160-89(59-211-213-61-91(123(199)164-101)159-125(201)93-30-25-45-168(93)131(207)103(67(12)18-3)165-115(191)81(48-72-33-37-74(174)38-34-72)152-126(202)99(63(6)7)163-122(90)198)121(197)150-80(47-71-31-35-73(173)36-32-71)114(190)146-77(28-23-43-138-132(136)137)110(186)151-82(49-94(135)175)108(184)140-52-97(178)161-102(66(11)17-2)130(206)167-44-24-29-92(167)124(200)158-86/h31-38,62-70,75-93,99-104,169-174H,16-30,39-61,133-134H2,1-15H3,(H2,135,175)(H,139,183)(H,140,184)(H,141,185)(H,142,181)(H,143,205)(H,144,176)(H,145,177)(H,146,190)(H,147,192)(H,148,196)(H,149,182)(H,150,197)(H,151,186)(H,152,202)(H,153,187)(H,154,188)(H,155,195)(H,156,194)(H,157,193)(H,158,200)(H,159,201)(H,160,203)(H,161,178)(H,162,189)(H,163,198)(H,164,199)(H,165,191)(H,166,204)(H,179,180)(H4,136,137,138)/t65-,66-,67-,68-,69-,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85+,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-,103-,104-/m0/s1
InChIKey: COLNTPYQZNWVBK-WFSGIHPYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Viola austrosinensis | Viola | Violaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Viola arcuata | Viola | Violaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 3115.7309999999925
TPSA?: 1269.8400000000004
MolLogP?: 12.265939999999985
Number of H-Donors: 42
Number of H-Acceptors: 47
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 500.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| Homo sapiens | HUVEC | IC50 | 400.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| Homo sapiens | PC-3 | IC50 | 500.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| None | Erythrocyte | IC50 | 11100.0 | nM | 10.1021/acs.jnatprod.9b01218 |
