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7-oxo-3,8,9-trihydroxy staurosporine

Properties

Image

Occurences in reactions

MNX_ID

MNXM102197

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₈H₂₄N₄O₇

charge

mass

528.1645

reference

chebi:66839

InChIKey

VDHMIDRUYQWJMP-WSDGDUIDSA-N

InChI

InChI=1S/C28H24N4O7/c1-28-25(38-3)12(29-2)9-16(39-28)31-13-5-4-10(33)8-11(13)17-20-21(27(37)30-26(20)36)19-18-14(6-7-15(34)24(18)35)32(28)23(19)22(17)31/h4-8,12,16,25,29,33-35H,9H2,1-3H3,(H,30,36,37)/t12-,16-,25-,28+/m1/s1

SMILES

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccc(O)c(O)c3c3c4c(c5c6cc(O)ccc6n2c5c31)C(=O)NC4=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:66839 chebi:66839	7-oxo-3,8,9-trihydroxy staurosporine (2S,3R,4R,6R)-11,22,23-trihydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1[2,6].0[7,28].0[8,13].0[15,19].0[20,27].0[21,26]]nonacosa-8,10,12,14,19,21,23,25,27-nonaene- 16,18-dione (5S,6R,7R,9R)-1,2,12-trihydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9-tetrahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacene-14,16(15H)-dione