Molecule ID: 24899660

IUPAC Name: (2S,3R,4R,6R)-11,22,23-trihydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaene-16,18-dione

Description: The molecule is a indolocarbazole alkaloid that is staurosporine substituted by hydroxy groups at positions 3, 8 and 9 and an oxo group at position 7. Isolated from Cystodytes solitus, it exhibits cytotoxic activity. It has a role as a metabolite and an antineoplastic agent. It is an indolocarbazole, an indolocarbazole alkaloid, an organic heterooctacyclic compound and a polyphenol. It derives from a staurosporine.

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

SELFIES: [C][N][C@@H1][C][C@H1][O][C@@][Branch1][C][C][Branch1][=Branch1][C@@H1][Ring1][#Branch1][O][C][N][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][C][=Branch2][Ring1][#Branch2][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][N][C][Ring1][#Branch2][=C][Ring1][=C][Ring2][Ring1][#Branch1][C][Branch1][C][O][=N][C][Ring1][P][=O]

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

Molecular Properties:
- Polar Surface Area: 147.0 Ų
- LogP: 2.1