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cortistatin E

PropertiesImage
MNX_IDMNXM104061 Image of MNXM104061
referencechebi:67179
formulaC32H52N2O
global charge0
mol weight480.781
InChIKeyNHQQBQFKOMCHDG-FCFSTLODSA-N
InChIInChI=1S/C32H52N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9,19,22-24,27-29H,7-8,10-18,20-21H2,1-6H3/t22-,23?,24?,27-,28-,29-,30-,31-,32-/m1/s1
SMILESCC1CN(C)CCC1CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H](N(C)C)C[C@]34CC[C@@]12O4
MNX internals
InChI (mnx)InChI=1/C32H52N2O/c1-22(7-8-24-14-18-34(6)21-23(24)2)28-11-12-29-30(28,3)15-13-26-19-25-9-10-27(33(4)5)20-31(25)16-17-32(26,29)35-31/h9,19,22-24,27-29H,7-8,10-18,20-21H2,1-6H3/t22-,23?,24?,27-,28-,29-,30-,31-,32-/m1/s1 Image of MNXM104061
SMILES (mnx)[CH3:1][C@H:22]([CH2:7][CH2:8][CH:24]1[CH2:14][CH2:18][N:34]([CH3:6])[CH2:21][CH:23]1[CH3:2])[C@H:28]1[CH2:11][CH2:12][C@@H:29]2[C@:30]1([CH3:3])[CH2:15][CH2:13][C:26]1=[CH:19][C:25]3=[CH:9][CH2:10][C@@H:27]([N:33]([CH3:4])[CH3:5])[CH2:20][C@:31]34[CH2:16][CH2:17][C@@:32]12[O:35]4
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:67179
chebi:67179
NHQQBQFKOMCHDG-FCFSTLODSA-N
cortistatin E
(3R,5R)-N,N-dimethyl-17beta-[(2R)-4-(1,3-dimethylpiperidin-4-yl)butan-2-yl]-5,8alpha-epoxy-9,19-cyclo-9,10-secoandrosta-1(10),9(19)-dien-3-amine