KNApSAcK Metabolite C00017138
Metabolite
KNApSAcK Entry
| id | C00017138 |
|---|---|
| Name | R 106-4 / Aureobasidin E / Antibiotic R 106-IV |
| CAS RN | 127785-66-4 |
| Standard InChI | InChI=1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)/t37-,38+,41+,42+,43+,44+,45+,46+,47?,48?,49-,50-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C60H92N8O12/c1-17-37(9)44-56(75)64(13)45(35(5)6)52(71)61-41(32-34(3)4)55(74)67(16)50(60(11,12)79)59(78)80-49(38(10)18-2)58(77)65(14)46(36(7)8)53(72)62-42(33-39-26-21-19-22-27-39)54(73)66(15)47(48(69)40-28-23-20-24-29-40)57(76)68-31-25-30-43(68)51(70)63-44/h19-24,26-29,34-38,41-50,69,79H,17-18,25,30-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 183 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL1790691 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C072154 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Dothioraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aureobasidium pullulans R106 | 5579 | Dothioraceae | Fungi |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL1790691 |
CHEMBL710067
(1)
CHEMBL710068
(1)
CHEMBL843940 (1) CHEMBL843941 (1) |
1 / 0 |