KNApSAcK Metabolite C00042123
Metabolite
KNApSAcK Entry
| id | C00042123 |
|---|---|
| Name | 3-epi-Betulin / (+)-3-epi-Betulin |
| CAS RN | 35316-99-5 |
| Standard InChI | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24+,25+,27-,28+,29+,30+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 23 |
Link
ChEMBL
| By standard InChI | CHEMBL140040 |
|---|---|
| By standard InChI Main Layer | CHEMBL23236 CHEMBL140040 CHEMBL1610940 CHEMBL2000891 CHEMBL2069124 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Celastraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Maytenus cuzcoina | 123430 | Celastraceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
18 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1610940 |
CHEMBL1741321
(1)
|
1 / 0 |
| P18031 | Tyrosine-protein phosphatase non-receptor type 1 | Tyr | CHEMBL23236 |
CHEMBL1106811
(1)
|
0 / 0 |
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | CHEMBL23236 |
CHEMBL1014033
(1)
|
0 / 3 |
| Q8TDU6 | G-protein coupled bile acid receptor 1 | Steroid-like ligand receptor | CHEMBL23236 |
CHEMBL1041788
(1)
CHEMBL1041789
(1)
|
0 / 0 |
| O75604 | Ubiquitin carboxyl-terminal hydrolase 2 | Enzyme | CHEMBL1610940 |
CHEMBL1614331
(1)
|
0 / 0 |
| P02545 | Prelamin-A/C | Unclassified protein | CHEMBL1610940 CHEMBL2069124 |
CHEMBL1614544
(2)
|
11 / 10 |
| P10828 | Thyroid hormone receptor beta | NR1A2 | CHEMBL2069124 |
CHEMBL1613776
(1)
|
3 / 1 |
| Q02156 | Protein kinase C epsilon type | Eta | CHEMBL23236 |
CHEMBL997494
(1)
|
0 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1610940 |
CHEMBL1741325
(1)
|
0 / 1 |
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL23236 |
CHEMBL951647
(1)
|
0 / 0 |
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL23236 |
CHEMBL951649
(2)
CHEMBL938784
(1)
|
0 / 0 |
| Q16665 | Hypoxia-inducible factor 1-alpha | Transcription Factor | CHEMBL1610940 |
CHEMBL1614456
(1)
CHEMBL1613803
(1)
|
0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1610940 |
CHEMBL1794467
(1)
|
0 / 0 |
| Q96RI1 | Bile acid receptor | NR1H4 | CHEMBL23236 |
CHEMBL1041790
(1)
|
0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1610940 |
CHEMBL1741322
(1)
|
0 / 0 |
| P05771 | Protein kinase C beta type | Alpha | CHEMBL23236 |
CHEMBL997493
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1610940 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1610940 |
CHEMBL1741324
(1)
|
0 / 1 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (16)
| OMIM | preferred title | UniProt |
|---|---|---|
| #115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
| #212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
| #605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
| #610140 | Heart-hand syndrome, slovenian type |
P02545
|
| #176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
| #151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
| #248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
| #613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
| #159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
| #275210 | Restrictive dermopathy, lethal |
P02545
|
| #188570 | Thyroid hormone resistance, generalized, autosomal dominant; grth |
P10828
|
| #274300 | Thyroid hormone resistance, generalized, autosomal recessive; grth |
P10828
|
| #145650 | Thyroid hormone resistance, selective pituitary; prth |
P10828
|
KEGG DISEASE (17)
| KEGG | disease name | UniProt |
|---|---|---|
| H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(related)
|
| H00294 | Dilated cardiomyopathy (DCM) |
P02545
(related)
|
| H00420 | Familial partial lipodystrophy (FPL) |
P02545
(related)
|
| H00563 | Emery-Dreifuss muscular dystrophy |
P02545
(related)
|
| H00590 | Congenital muscular dystrophies (CMD/MDC) |
P02545
(related)
|
| H00593 | Limb-girdle muscular dystrophy (LGMD) |
P02545
(related)
|
| H00601 | Hutchinson-Gilford progeria syndrome |
P02545
(related)
|
| H00663 | Restrictive dermopathy |
P02545
(related)
|
| H00665 | Mandibuloacral dysplasia |
P02545
(related)
|
| H01216 | Left ventricular noncompaction (LVNC) |
P02545
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00249 | Thyroid hormone resistance syndrome |
P10828
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00017 | Esophageal cancer |
P35354
(related)
|
| H00025 | Penile cancer |
P35354
(related)
|
| H00046 | Cholangiocarcinoma |
P35354
(related)
|