None

AlkaPlorer ID: AK324165

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(C)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]([C@@H](C)O)N=C(O)[C@@H]2CSSC[C@@H]3N=C(O)[C@H]([C@@H](C)O)N=C(O)CN=C(O)CN=C(O)[C@H](CC4=CC=CC=C4)N=C(O)[C@@H]4CSSC[C@H](N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](CSSC[C@H](N=C(O)[C@H](C(C)C)N=C(O)[C@@H]5CCCN5C1=O)C(O)=NCC(O)=N[C@@H](CCC(=O)O)C(O)=N[C@H]([C@@H](C)O)CN4)N=C(O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)O)N=C(O)[C@H](CC(=N)O)N=C3O)C(O)=N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CC1=CNC3=CC=CC=C13)C(=O)N1CCC[C@H]1C(O)=N[C@@H](C(C)C)C(O)=N2

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InChI: InChI=1S/C127H188N36O40S6/c1-57(2)38-74-123(200)161-35-20-29-86(161)116(193)155-97(58(3)4)118(195)150-79-52-205-206-53-80-112(189)157-101(63(10)167)122(199)153-82-55-207-204-51-78(134-45-77(60(7)164)149-107(184)70(31-32-95(176)177)140-91(172)48-138-105(79)182)109(186)144-71(39-65-22-13-12-14-23-65)103(180)136-46-90(171)135-47-94(175)154-99(61(8)165)120(197)152-81(110(187)146-73(42-89(129)170)108(185)159-102(64(11)168)126(203)163-37-18-27-84(163)114(191)139-50-93(174)142-80)54-208-209-56-83(113(190)158-100(62(9)166)121(198)143-69(26-17-33-132-127(130)131)106(183)145-72(41-88(128)169)104(181)137-49-92(173)141-74)151-119(196)98(59(5)6)156-117(194)87-30-21-36-162(87)124(201)75(40-66-44-133-68-25-16-15-24-67(66)68)148-115(192)85-28-19-34-160(85)125(202)76(43-96(178)179)147-111(82)188/h12-16,22-25,44,57-64,69-87,97-102,133-134,164-168H,17-21,26-43,45-56H2,1-11H3,(H2,128,169)(H2,129,170)(H,135,171)(H,136,180)(H,137,181)(H,138,182)(H,139,191)(H,140,172)(H,141,173)(H,142,174)(H,143,198)(H,144,186)(H,145,183)(H,146,187)(H,147,188)(H,148,192)(H,149,184)(H,150,195)(H,151,196)(H,152,197)(H,153,199)(H,154,175)(H,155,193)(H,156,194)(H,157,189)(H,158,190)(H,159,185)(H,176,177)(H,178,179)(H4,130,131,132)/t60-,61-,62-,63-,64-,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,97+,98+,99+,100+,101+,102+/m1/s1

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InChIKey: XIIXGSLOVPMUHO-SYZCISFVSA-N

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Reference

PubChem CID: 70692401

NPASS: NPC486504

Source

Species Genus Family Order Class Phylum Kingdom Domain
Viola abyssinica Viola Violaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 3051.514999999993

TPSA: 1249.62

MolLogP: 8.074010000000003

Number of H-Donors: 41

Number of H-Acceptors: 46

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens U-937/GTB IC50 2600.0 nM 10.1021/np100790f

Metabolism Information