| id | C00034638 | 
|---|---|
| Name | Pitipeptolide A / (-)-Pitipeptolide A | 
| CAS RN | 334706-26-2 | 
| Standard InChI | InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33?,35-,36-,37?/m0/s1 | 
| Standard InChI (Main Layer) | InChI=1S/C44H65N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56) | 
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1460 | 
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL505780 CHEMBL1889891 | 
| By LinkDB | 
|---|
| By CAS RN | 
|---|
| class name | count | 
|---|
| family name | count | 
|---|
| KNApSAcK organism | *ID | *family | *plant class | *kingdom | 
|---|---|---|---|---|
| Lyngbya majuscula | 158786 | Bacteria | 
| accession | description | class description | compound | assay ID (# of activities) | # of diseases (OMIM / KEGG) | 
|---|---|---|---|---|---|
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL1889891 | CHEMBL2114784
                        (1) | 1 / 1 | 
| P00747 | Plasminogen | S1A | CHEMBL505780 | CHEMBL950682
                        (1) | 1 / 2 | 
| P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | CHEMBL1889891 | CHEMBL1794584
                        (1) | 2 / 0 | 
| P43220 | Glucagon-like peptide 1 receptor | Glucagon-like peptide receptor | CHEMBL1889891 | CHEMBL2114788
                        (1) | 0 / 0 | 
| P00734 | Prothrombin | S1A | CHEMBL505780 | CHEMBL950680
                        (1) | 4 / 2 | 
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | CHEMBL1889891 | CHEMBL2354311
                        (1) | 1 / 0 | 
| OMIM | preferred title | UniProt | 
|---|---|---|
| #114500 | Colorectal cancer; crc | P84022 | 
| #137800 | Glioma susceptibility 1; glm1 | O75874 | 
| #613795 | Loeys-dietz syndrome, type 3; lds3 | P84022 | 
| #217090 | Plasminogen deficiency, type i | P00747 | 
| #614390 | Pregnancy loss, recurrent, susceptibility to, 2; rprgl2 | P00734 | 
| #613679 | Prothrombin deficiency, congenital | P00734 | 
| #183090 | Spinocerebellar ataxia 2; sca2 | Q99700 | 
| #601367 | Stroke, ischemic | P00734 | 
| #188050 | Thrombophilia due to thrombin defect; thph1 | P00734 |