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K-252c
MNXM7457 is deprecated and here replaced by MNXM739955
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM739955 |
 |
| reference | chebi:204201 |
| formula | C20H13N3O |
| global charge | 0 |
| mol weight | 311.344 |
| InChIKey | MEXUTNIFSHFQRG-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) |
| SMILES | O=C1NCC2=C1C1=C(NC3=C1C=CC=C3)C1=C2C2=C(C=CC=C2)N1 |
MNX internals
| InChI (mnx) | InChI=1/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) |
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| SMILES (mnx) | [CH:1]1=[CH:3][CH:7]=[C:13]2[C:10](=[CH:5]1)[C:15]1=[C:12]3[CH2:9][N:21]=[C:20]([OH:24])[C:17]3=[C:16]3[C:11]4=[CH:6][CH:2]=[CH:4][CH:8]=[C:14]4[NH:23][C:19]3=[C:18]1[NH:22]2 |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 5 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
CHEBI:204201 chebi:204201 MEXUTNIFSHFQRG-UHFFFAOYSA-N
| K-252c 3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
|
hmdb:HMDB0260295 MEXUTNIFSHFQRG-UHFFFAOYSA-N
| 6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one 3'-(S)-Epi-K-252a 3,13,23-triazahexacyclo[14.7.0.0²,¹⁰.0⁴,⁹.0¹¹,¹⁵.0¹⁷,²²]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-12-one K-252C Staurosporine aglycone Staurosporinone
|
kegg.compound:C21126 keggC:C21126 MEXUTNIFSHFQRG-UHFFFAOYSA-N
| K-252c
|
metacyc.compound:CPD-11789 metacycM:CPD-11789 seed.compound:cpd23088 seedM:cpd23088 MEXUTNIFSHFQRG-UHFFFAOYSA-N
| K-252c K252c staurosporine aglycone
|
keggC:M_C21126 seedM:M_cpd23088
| secondary/obsolete/fantasy identifier
|