KNApSAcK Metabolite C00000646
Metabolite
KNApSAcK Entry
| id | C00000646 |
|---|---|
| Name | (-)-Arctiin |
| CAS RN | 20362-31-6 |
| Standard InChI | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22?,23+,24-,25?,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 22 |
|---|---|
| KCF-S cluster | No. 653 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL388452 CHEMBL1526371 |
KEGG
| By LinkDB | C16915 |
|---|
CTD
| By CAS RN | C077992 |
|---|
Species
Summary
Family
| family name | count |
|---|---|
| Asteraceae | 3 |
| Oleaceae | 1 |
| Thymelaeaceae | 1 |
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Arctium lappa | 4217 | Asteraceae | asterids | Viridiplantae |
| Centaurea americana | 41506 | Asteraceae | asterids | Viridiplantae |
| Daphne feddei | 66679 | Thymelaeaceae | rosids | Viridiplantae |
| Forsythia viridissima | 205691 | Oleaceae | asterids | Viridiplantae |
| Saussurea medusa | 137893 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q16637 | Survival motor neuron protein | Unclassified protein | CHEMBL1526371 |
CHEMBL1613842
(1)
|
4 / 2 |
| P02545 | Prelamin-A/C | Unclassified protein | CHEMBL1526371 |
CHEMBL1614544
(1)
|
11 / 10 |
| O75496 | Geminin | Unclassified protein | CHEMBL1526371 |
CHEMBL2114843
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1526371 |
CHEMBL1794401
(1)
|
0 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (15)
| 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
|
| #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
|
| #253300 | Spinal muscular atrophy, type i; sma1 |
Q16637
|
| #253550 | Spinal muscular atrophy, type ii; sma2 |
Q16637
|
| #253400 | Spinal muscular atrophy, type iii; sma3 |
Q16637
|
| #271150 | Spinal muscular atrophy, type iv; sma4 |
Q16637
|
KEGG DISEASE (11)
| 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)
|
| H00455 | Spinal muscular atrophy (SMA) |
Q16637
(related)
Q16637 (related) |