Cytochalasin M
-
Formula: C30H37NO6
-
Molecular weight: 507.60
-
Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=CC=C5)OC(=O)CCC(C(=O)C(=C1)C)O)C)C
-
Type: Cytochalasan
Cytochalasin M
Names
-
Mycotoxin name: Cytochalasin M
-
First synonym: None
-
Synonyms: Cytochalasin M,0G05V4G606,UNII-0G05V4G606,24-Oxa(14)cytochalasa-13,17-diene-1,19,23-trione, 6,7-epoxy-20-hydroxy-16,18-dimethyl-10-phenyl-, (7S,13E,16S,17E,20S)-,79648-73-0,3H-Oxacyclotetradecino(2,3-d)oxireno(f)isoindole-7,11,13(4H,8H,14H)-trione, 9,10,15,15a,16,16a,17a,17b-octahydro-8-hydroxy-4,6,16,16a-tetramethyl-15-(phenylmethyl)-, (4S79648-73-0-(1E,4R*,5E,8R*,12ar*,15R*,15ar*,16R*,16as*,17ar*,17br*))-,(1S,6S,8E,10S,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-8,10,17,18-tetramethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-8,12-diene-3,7,22-trione,(1S,6S,8E,10S,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-8,10,17,18-tetramethyl-2,16-dioxa-21-azatetracyclo(12.8.0.01,19.015,17)docosa-8,12-diene-3,7,22-trione,CHEBI:204365,Q27896811
Identifiers / External links
-
CAS: 79648-73-0
-
PubChem CID: 122201343
-
ChemSpiderID: 58828458
-
US FDA (UNII): UNII-0G05V4G606
-
Wikidata (wiki): Q27896811
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:204365
Structure
-
Smiles: CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=CC=C5)OC(=O)CCC(C(=O)C(=C1)C)O)C)C
-
Isomeric smiles: C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@]2(C(=O)N[C@H]4CC5=CC=CC=C5)OC(=O)CC[C@@H](C(=O)/C(=C1)/C)O)C)C
-
Inchi: InChI=1S/C30H37NO6/c1-17-9-8-12-21-27-29(4,37-27)19(3)25-22(16-20-10-6-5-7-11-20)31-28(35)30(21,25)36-24(33)14-13-23(32)26(34)18(2)15-17/h5-8,10-12,15,17,19,21-23,25,27,32H,9,13-14,16H2,1-4H3,(H,31,35)/b12-8+,18-15+/t17-,19-,21-,22-,23-,25-,27-,29+,30+/m0/s1
-
Inchikey: KXUADWPFUZOYLZ-PDFJPCBASA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C30H37NO6
-
Molecular weight: 507.60
-
Monoisotopic mass: 507.2620879
Select an endpoint:
Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
---|
Select an endpoint:
Endpoint | Tool | Value | Unit | Comments | Reference |
---|
Fungi
-
Fungi id Species