None
AlkaPlorer ID: AK323637
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](N=C(O)CN)CSSC[C@@H]2N=C(O)CN=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]3CSSC[C@@H](C(O)=NCC(=O)O)N=C(O)[C@H](CC4=CC=CC=C4)N=C(O)CN=C(O)[C@H](CC(=N)O)N=C(O)[C@@H]4CCCN4C(=O)CN=C(O)[C@H](CSSC[C@H](N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CCSC)N=C(O)[C@H](CC(C)C)N=C1O)C(O)=N[C@@H](CCCCN)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H](CO)C(O)=N[C@@H](CC(=O)O)C(O)=N3)N=C(O)[C@H](C(C)C)N=C2O
InChI: InChI=1S/C116H185N37O36S7/c1-11-58(8)91-113(188)144-67(38-56(4)5)102(177)138-65(30-36-190-10)99(174)135-62(24-17-32-125-115(121)122)97(172)147-76-52-194-192-50-74-94(169)129-46-86(160)152-34-19-26-79(152)110(185)143-69(40-82(120)156)93(168)128-45-84(158)132-68(39-60-21-13-12-14-22-60)103(178)146-73(95(170)130-47-89(165)166)49-191-195-53-77(148-105(180)71(42-88(163)164)142-106(181)72(48-154)145-104(179)70(41-87(161)162)141-98(173)64(28-29-81(119)155)137-96(171)61(136-107(76)182)23-15-16-31-117)108(183)140-66(37-55(2)3)101(176)131-59(9)92(167)127-44-85(159)133-75(109(184)150-90(57(6)7)112(187)149-74)51-193-196-54-78(134-83(157)43-118)114(189)153-35-20-27-80(153)111(186)139-63(100(175)151-91)25-18-33-126-116(123)124/h12-14,21-22,55-59,61-80,90-91,154H,11,15-20,23-54,117-118H2,1-10H3,(H2,119,155)(H2,120,156)(H,127,167)(H,128,168)(H,129,169)(H,130,170)(H,131,176)(H,132,158)(H,133,159)(H,134,157)(H,135,174)(H,136,182)(H,137,171)(H,138,177)(H,139,186)(H,140,183)(H,141,173)(H,142,181)(H,143,185)(H,144,188)(H,145,179)(H,146,178)(H,147,172)(H,148,180)(H,149,187)(H,150,184)(H,151,175)(H,161,162)(H,163,164)(H,165,166)(H4,121,122,125)(H4,123,124,126)/t58-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,90-,91-/m0/s1
InChIKey: YZVQGPUSYMIGKQ-RDWLLRERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Momordica dioica | Momordica | Cucurbitaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 2898.4479999999944
TPSA?: 1251.5000000000002
MolLogP?: 9.497879999999988
Number of H-Donors: 41
Number of H-Acceptors: 44
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Drug degradation | 70.0 | % | 10.1021/acs.jnatprod.8b00716 |
