KNApSAcK Metabolite C00042301
Metabolite
KNApSAcK Entry
| id | C00042301 |
|---|---|
| Name | Brevetoxin B |
| CAS RN | 79580-28-2 |
| Standard InChI | InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3/b10-9- |
| Standard InChI (Main Layer) | InChI=1S/C50H70O14/c1-25(24-51)14-28-17-37(52)50(8)41(54-28)19-33-34(61-50)18-32-29(55-33)10-9-12-46(4)42(58-32)23-49(7)40(62-46)21-39-47(5,64-49)13-11-30-44(60-39)26(2)15-31-36(56-30)22-48(6)38(57-31)20-35-45(63-48)27(3)16-43(53)59-35/h9-10,16,24,26,28-42,44-45,52H,1,11-15,17-23H2,2-8H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2725 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL216458 CHEMBL413858 |
KEGG
| By LinkDB | C16857 |
|---|
CTD
| By CAS RN | C043466 |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Kareniaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Karenia brevis | 156230 | Kareniaceae | Eukaryota |
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q9NY46 | Sodium channel protein type 3 subunit alpha | SCN alpha, NaV1.x | CHEMBL413858 |
CHEMBL880607
(1)
CHEMBL880612
(1)
CHEMBL872318 (2) |
0 / 0 |
| Q99250 | Sodium channel protein type 2 subunit alpha | SCN alpha, NaV1.x | CHEMBL413858 |
CHEMBL880607
(1)
CHEMBL880612
(1)
CHEMBL872318 (2) |
2 / 2 |
| P35498 | Sodium channel protein type 1 subunit alpha | SCN alpha, NaV1.x | CHEMBL413858 |
CHEMBL880607
(1)
CHEMBL880612
(1)
CHEMBL872318 (2) |
3 / 2 |
CTD interaction (1)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C043466 | 213 |
ALB
PRO0883 PRO0903 PRO1341 |
albumin | brevetoxin B binds to and results in increased metabolism of ALB protein |
affects binding
/ increases metabolic processing |
protein |
21142195
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (5)
| OMIM | preferred title | UniProt |
|---|---|---|
| #607208 | Dravet syndrome |
P35498
|
| #613721 | Epileptic encephalopathy, early infantile, 11; eiee11 |
Q99250
|
| #604403 | Generalized epilepsy with febrile seizures plus, type 2; gefsp2 |
P35498
|
| #609634 | Migraine, familial hemiplegic, 3; fhm3 |
P35498
|
| #607745 | Seizures, benign familial infantile, 3; bfis3 |
Q99250
|