(2R,14aS,15bS)-2,15b-Dihydroxy-14a-methyl-4,5,12,13,14,14a-hexahydro-1H-furo[4',3',2':8,9]phenanthro[3,2-e][1,4]thiazino[2,3,4-hi]indole-7,9(2H,15bH)-dione 6,6-dioxide
AlkaPlorer ID: AK129849
Synonym: None
IUPAC Name: (1S,5S,7R)-5,7-dihydroxy-1-methyl-11,11-dioxo-19-oxa-11lambda6-thia-8-azaheptacyclo[16.6.1.15,8.02,16.04,14.021,25.012,26]hexacosa-2,4(14),12(26),15,18(25),20-hexaene-13,17-dione
Structure
SMILES: C[C@@]12CCCC3=COC(=C31)C(=O)C1=CC3=C(C=C12)[C@@]1(O)C[C@@H](O)N2CCS(=O)(=O)C(=C21)C3=O
InChI: InChI=1S/C24H21NO7S/c1-23-4-2-3-11-10-32-20(17(11)23)18(27)12-7-13-15(8-14(12)23)24(29)9-16(26)25-5-6-33(30,31)21(19(13)28)22(24)25/h7-8,10,16,26,29H,2-6,9H2,1H3/t16-,23+,24+/m1/s1
InChIKey: ONTKLNBZHONWLS-XRJVTAMDSA-N
Reference
PubChem CID: 146014085
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 467.49900000000025
TPSA？: 125.11999999999998
MolLogP？: 1.5142999999999995
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | 5000.0 | nM | 10.1016/j.ejmech.2020.112107 |