None
AlkaPlorer ID: AK324168
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C(C)C)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@H](CO)N=C(O)[C@@H]4CSSC[C@H](N=C(O)[C@@H]5CCCN5C(=O)[C@H]([C@@H](C)CC)N=C(O)[C@H](C(C)C)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CC5=CC=C(O)C=C5)N=C(O)[C@H](CSSC[C@H](N=C(O)[C@@H]5CCCN5C1=O)C(O)=N[C@@H]([C@@H](C)CC)C(O)=N[C@@H](CO)C(O)=N[C@@H]([C@@H](C)O)C(O)=N[C@@H](CC(C)C)C(O)=N[C@H](CC(C)C)C(O)=NCC(O)=N4)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CCCCN)N=C3O)C(O)=NCC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@@H](CO)C(O)=N2
InChI: InChI=1S/C140H223N37O40S6/c1-18-72(14)108-136(214)163-91(60-181)125(203)175-111(75(17)182)137(215)158-84(50-68(6)7)119(197)155-83(49-67(4)5)112(190)147-55-102(186)151-93-62-219-218-61-92-114(192)149-54-101(185)150-82(42-43-104(188)189)117(195)161-89(58-179)123(201)165-96-65-222-220-63-94(164-124(202)90(59-180)162-126(93)204)127(205)154-79(33-24-26-44-141)116(194)160-88(57-178)122(200)153-80(34-25-27-45-142)118(196)170-107(71(12)13)134(212)168-95(64-221-223-66-97(130(208)172-108)167-132(210)99-37-30-47-176(99)138(216)109(73(15)19-2)173-121(199)86(51-76-31-22-21-23-32-76)159-133(211)106(70(10)11)171-129(96)207)128(206)156-85(52-77-38-40-78(183)41-39-77)120(198)152-81(35-28-46-146-140(144)145)115(193)157-87(53-100(143)184)113(191)148-56-103(187)169-105(69(8)9)135(213)174-110(74(16)20-3)139(217)177-48-29-36-98(177)131(209)166-92/h21-23,31-32,38-41,67-75,79-99,105-111,178-183H,18-20,24-30,33-37,42-66,141-142H2,1-17H3,(H2,143,184)(H,147,190)(H,148,191)(H,149,192)(H,150,185)(H,151,186)(H,152,198)(H,153,200)(H,154,205)(H,155,197)(H,156,206)(H,157,193)(H,158,215)(H,159,211)(H,160,194)(H,161,195)(H,162,204)(H,163,214)(H,164,202)(H,165,201)(H,166,209)(H,167,210)(H,168,212)(H,169,187)(H,170,196)(H,171,207)(H,172,208)(H,173,199)(H,174,213)(H,175,203)(H,188,189)(H4,144,145,146)/t72-,73-,74-,75+,79-,80-,81-,82-,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,105-,106-,107-,108-,109-,110-,111-/m0/s1
InChIKey: GRPIVFRCKFEMJF-KCXWPQQRSA-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: 3256.9449999999915
TPSA?: 1302.43
MolLogP?: 13.540039999999966
Number of H-Donors: 43
Number of H-Acceptors: 48
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | IC50 | 1800.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| Homo sapiens | HUVEC | IC50 | 1200.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| Homo sapiens | PC-3 | IC50 | 1100.0 | nM | 10.1021/acs.jnatprod.9b01218 |
| None | Erythrocyte | IC50 | nan | None | 10.1021/acs.jnatprod.9b01218 |
