KNApSAcK Metabolite C00014744
Metabolite
KNApSAcK Entry
| id | C00014744 |
|---|---|
| Name | Neocalycopterone methyl ether / (2R,7aR,11R,13S,14aR)-2,3,12,13-Tetrahydro-6,7,7a,8,9,13-hexamethoxy-2,11-diphenyl-11H-furo[2,3-f:4,5-i']bis[1]benzopyran-5(7aH)-one |
| CAS RN | 247095-90-5 |
| Standard InChI | InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3/t23-,24-,25+,35-,36-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C36H36O10/c1-38-25-19-24(21-15-11-8-12-16-21)44-30-26(25)29-27(31(39-2)33(30)41-4)35(43-6)34(42-5)32(40-3)28(37)22-17-18-23(45-36(22,35)46-29)20-13-9-7-10-14-20/h7-17,23-25H,18-19H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 716 |
Link
ChEMBL
| By standard InChI | CHEMBL1685073 |
|---|---|
| By standard InChI Main Layer | CHEMBL284830 CHEMBL1685073 |
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 | CHEMBL1685073 |
CHEMBL1687396
(1)
|
1 / 0 |
| Q9UNQ0 | ATP-binding cassette sub-family G member 2 | ATP binding cassette | CHEMBL1685073 |
CHEMBL1687393
(1)
CHEMBL1687394
(1)
|
2 / 0 |