PCIDB

KNApSAcK Metabolite C00034390

Metabolite

KNApSAcK Entry

id C00034390
Name 3-epi-Betulinic acid
CAS RN 38736-77-5
Standard InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23+,24+,27-,28+,29+,30-/m0/s1
Standard InChI (Main Layer) InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 23

Link

ChEMBL

By standard InChI CHEMBL519059
By standard InChI Main Layer CHEMBL269277 CHEMBL71690 CHEMBL519059 CHEMBL1318530 CHEMBL2005635

KEGG

By LinkDB

CTD

By CAS RN

Human Protein / Gene in interaction

34 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 CHEMBL1318530 CHEMBL1741321 (1)
1 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein CHEMBL269277 CHEMBL1794499 (1)
2 / 0
O60218 Aldo-keto reductase family 1 member B10 Enzyme CHEMBL269277 CHEMBL2168780 (1)
0 / 0
P06746 DNA polymerase beta Enzyme CHEMBL269277 CHEMBL921744 (1) CHEMBL921745 (1)
CHEMBL993810 (1) CHEMBL1614079 (1)
0 / 0
Q8TDU6 G-protein coupled bile acid receptor 1 Steroid-like ligand receptor CHEMBL269277 CHEMBL1041788 (1) CHEMBL1041789 (1)
0 / 0
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL1318530 CHEMBL1614331 (1)
0 / 0
P02545 Prelamin-A/C Unclassified protein CHEMBL1318530 CHEMBL1614544 (1)
11 / 10
Q02156 Protein kinase C epsilon type Eta CHEMBL269277 CHEMBL997494 (1)
0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 CHEMBL1318530 CHEMBL1741325 (1)
0 / 1
P15559 NAD(P)H dehydrogenase [quinone] 1 Enzyme CHEMBL269277 CHEMBL1004305 (1)
0 / 0
P11387 DNA topoisomerase 1 Isomerase CHEMBL269277 CHEMBL1108448 (1)
0 / 0
P11388 DNA topoisomerase 2-alpha Isomerase CHEMBL269277 CHEMBL1108449 (1)
0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor CHEMBL1318530 CHEMBL1614456 (1) CHEMBL1613803 (1)
0 / 0
P08151 Zinc finger protein GLI1 Unclassified protein CHEMBL269277 CHEMBL972431 (1) CHEMBL987100 (2)
CHEMBL987104 (1) CHEMBL987105 (1)
CHEMBL987107 (1) CHEMBL987108 (1)
0 / 0
O75496 Geminin Unclassified protein CHEMBL269277 CHEMBL71690 CHEMBL2114843 (2) CHEMBL2114780 (1)
0 / 0
P15121 Aldose reductase Enzyme CHEMBL269277 CHEMBL2168781 (1)
0 / 0
P49841 Glycogen synthase kinase-3 beta Gsk CHEMBL269277 CHEMBL1053705 (1)
0 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL71690 CHEMBL2114931 (1)
0 / 0
Q04206 Transcription factor p65 Transcription Factor CHEMBL269277 CHEMBL1109182 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL71690 CHEMBL1794569 (1)
1 / 1
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme CHEMBL71690 CHEMBL1963863 (1)
0 / 0
Q96RI1 Bile acid receptor NR1H4 CHEMBL269277 CHEMBL1041790 (1)
0 / 0
Q13133 Oxysterols receptor LXR-alpha NR1H3 CHEMBL269277 CHEMBL1007705 (1) CHEMBL1007709 (1)
CHEMBL1008515 (1)
0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 CHEMBL1318530 CHEMBL1741322 (1)
0 / 0
P55055 Oxysterols receptor LXR-beta NR1H3 CHEMBL269277 CHEMBL1007707 (1) CHEMBL1007710 (1)
CHEMBL1008519 (1)
0 / 0
P19838 Nuclear factor NF-kappa-B p105 subunit Transcription Factor CHEMBL269277 CHEMBL1109181 (1)
0 / 0
P05771 Protein kinase C beta type Alpha CHEMBL269277 CHEMBL997493 (1)
0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 CHEMBL1318530 CHEMBL1741323 (1)
1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL1318530 CHEMBL1741324 (1)
0 / 1
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL269277 CHEMBL1318530 CHEMBL1794536 (2)
0 / 0
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL71690 CHEMBL2354311 (1)
1 / 0
Q8IUX4 DNA dC->dU-editing enzyme APOBEC-3F Enzyme CHEMBL269277 CHEMBL1963966 (1)
0 / 0
Q9UBT2 SUMO-activating enzyme subunit 2 Enzyme CHEMBL269277 CHEMBL1614105 (1) CHEMBL1614290 (1)
0 / 0
Q9UBE0 SUMO-activating enzyme subunit 1 Unclassified protein CHEMBL269277 CHEMBL1614105 (1) CHEMBL1614290 (1)
0 / 0

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (17)

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
#137800 Glioma susceptibility 1; glm1 O75874
#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
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (14)

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)
H01205 Coumarin resistance P11712 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)