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cortistatin B

PropertiesImage
MNX_IDMNXM104058 Image of MNXM104058
referencechebi:67173
formulaC30H36N2O4
global charge0
mol weight488.628
InChIKeyUOILBRZCKBLNDS-KMWHWPCOSA-N
InChIInChI=1S/C30H36N2O4/c1-28-8-6-20-13-21-26(34)27(35)22(32(2)3)15-29(21)9-10-30(20,36-29)24(28)14-23(33)25(28)18-5-4-17-7-11-31-16-19(17)12-18/h4-7,11-13,16,22-27,33-35H,8-10,14-15H2,1-3H3/t22-,23-,24+,25-,26+,27+,28-,29+,30+/m0/s1
SMILESCN(C)[C@H]1C[C@@]23CC[C@@]4(O2)C(=CC[C@@]2(C)[C@H]4C[C@H](O)[C@@H]2C2=CC=C4C=CN=CC4=C2)C=C3[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H36N2O4/c1-28-8-6-20-13-21-26(34)27(35)22(32(2)3)15-29(21)9-10-30(20,36-29)24(28)14-23(33)25(28)18-5-4-17-7-11-31-16-19(17)12-18/h4-7,11-13,16,22-27,33-35H,8-10,14-15H2,1-3H3/t22-,23-,24+,25-,26+,27+,28-,29+,30+/m0/s1 Image of MNXM104058
SMILES (mnx)[CH3:1][C@:28]12[CH2:8][CH:6]=[C:20]3[CH:13]=[C:21]4[C@@H:26]([OH:34])[C@H:27]([OH:35])[C@@H:22]([N:32]([CH3:2])[CH3:3])[CH2:15][C@:29]45[CH2:9][CH2:10][C@@:30]3([C@@H:24]1[CH2:14][C@H:23]([OH:33])[C@@H:25]2[C:18]1=[CH:12][C:19]2=[CH:16][N:31]=[CH:11][CH:7]=[C:17]2[CH:4]=[CH:5]1)[O:36]5
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:67173
chebi:67173
UOILBRZCKBLNDS-KMWHWPCOSA-N 		cortistatin B
(+)-cortistatin B
(1R,2R,3S,5R)-3-(dimethylamino)-17beta-(isoquinolin-7-yl)-5,8alpha-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2,16beta-triol
(1R,2R,3S,5R,8alpha,16beta,17beta)-3-(dimethylamino)-17-(isoquinolin-7-yl)-5,8-epoxy-9,19-cyclo-9,10-secoandrosta-9(11),10-diene-1,2,16-triol