KNApSAcK Metabolite C00003749
Metabolite
KNApSAcK Entry
| id | C00003749 |
|---|---|
| Name | Lupeol / Lupenol / (+)-Lupenol |
| CAS RN | 545-47-1 |
| Standard InChI | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 23 |
Link
ChEMBL
| By standard InChI | CHEMBL289191 |
|---|---|
| By standard InChI Main Layer | CHEMBL289191 CHEMBL459702 |
KEGG
| By LinkDB | C08628 |
|---|
CTD
| By CAS RN | C010480 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 116 |
| rosids | 62 |
| eudicotyledons | 4 |
| Magnoliophyta | 1 |
Family (Top 10)
| family name | count |
|---|---|
| Ebenaceae | 75 |
| Fabaceae | 18 |
| Asteraceae | 15 |
| Rutaceae | 10 |
| Ericaceae | 5 |
| Lamiaceae | 4 |
| Moraceae | 4 |
| Euphorbiaceae | 4 |
| Apocynaceae | 4 |
| Clusiaceae | 3 |
List (193)
* NCBI
Human Protein / Gene in interaction
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08047 | Transcription factor Sp1 | Unclassified protein | CHEMBL289191 |
CHEMBL1058704
(1)
|
0 / 0 |
| P11387 | DNA topoisomerase 1 | Isomerase | CHEMBL289191 |
CHEMBL951647
(1)
|
0 / 0 |
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL289191 |
CHEMBL951649
(2)
CHEMBL938784
(1)
CHEMBL938785 (1) CHEMBL938786 (1) CHEMBL938787 (1) CHEMBL1111927 (1) |
0 / 0 |
CTD interaction (3)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C010480 | 1499 |
CTNNB1
CTNNB MRD19 armadillo |
catenin (cadherin-associated protein), beta 1, 88kDa | lupeol results in decreased localization of and results in decreased activity of CTNNB1 protein |
decreases activity
/ decreases localization |
protein |
20732907
|
| C010480 | 5728 |
PTEN
10q23del BZS CWS1 DEC GLM2 MHAM MMAC1 PTEN1 TEP1 |
phosphatase and tensin homolog (EC:3.1.3.67 3.1.3.16 3.1.3.48) | lupeol results in increased expression of PTEN protein |
increases expression
|
protein |
20979057
|
| C010480 | 5728 |
PTEN
10q23del BZS CWS1 DEC GLM2 MHAM MMAC1 PTEN1 TEP1 |
phosphatase and tensin homolog (EC:3.1.3.67 3.1.3.16 3.1.3.48) | PTEN protein results in increased susceptibility to lupeol |
increases response to substance
|
protein |
20979057
|
Related Disease
Diseases related to CTD interactions
6 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D006528 | C010480 | Carcinoma, Hepatocellular |
therapeutic
|
20979057
|
|
| D009202 | C010480 | Cardiomyopathies |
therapeutic
|
16259776
|
|
| D006937 | C010480 | Hypercholesterolemia |
therapeutic
|
16933029
|
|
| D009374 | C010480 | Neoplasms, Experimental |
therapeutic
|
20732907
|
|
| D012878 | C010480 | Skin Neoplasms |
therapeutic
|
15248479
|
|
| D014947 | C010480 | Wounds and Injuries |
therapeutic
|
18222664
|