KNApSAcK Metabolite C00014743
Metabolite
KNApSAcK Entry
| id | C00014743 |
|---|---|
| Name | Neocalycopterone / (2R,7aR,11R,13S,14aR)-2,3,12,13-Tetrahydro-13-hydroxy-6,7,7a,8,9-pentamethoxy-2,11-diphenyl-11H-furo[2,3-f:4,5-i']bis[1]benzopyran-5(7aH)-one |
| CAS RN | 247122-60-7 |
| Standard InChI | InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 716 |
Link
ChEMBL
| By standard InChI | CHEMBL1685072 |
|---|---|
| By standard InChI Main Layer | CHEMBL1685072 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Combretaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Calycopteris floribunda | 134915 | Combretaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL1685072 |
CHEMBL1687396
(1)
|
1 / 0 |
| Q9UNQ0 | ATP-binding cassette sub-family G member 2 | ATP binding cassette | CHEMBL1685072 |
CHEMBL1687393
(1)
CHEMBL1687394
(1)
|
2 / 0 |