Ningalin C; 3'-Deoxy
AlkaPlorer ID: AK036717
Synonym: Baculiferin K
IUPAC Name: 1,4-bis(3,4-dihydroxyphenyl)-2,5-dihydroxy-3-[2-(4-hydroxyphenyl)ethyl]benzo[e]indole-7,8-dione
Structure
SMILES: O=C1C(C2=CC=C(O)C(O)=C2)=C2C(=C(C3=CC=C(O)C(O)=C3)C(=O)N2CCC2=CC=C(O)C=C2)C2=C1C=C(O)C(O)=C2
InChI: InChI=1S/C32H23NO9/c34-18-5-1-15(2-6-18)9-10-33-30-28(17-4-8-22(36)24(38)12-17)31(41)20-14-26(40)25(39)13-19(20)29(30)27(32(33)42)16-3-7-21(35)23(37)11-16/h1-8,11-14,34-40H,9-10H2
InChIKey: BOYSXATUCQEFBT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iotrochota baculifera | Iotrochota | Iotrochotidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 565.5340000000003
TPSA？: 178.98999999999998
MolLogP？: 4.229100000000006
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Homo sapiens | A549 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Homo sapiens | Bel-7402 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Homo sapiens | DNA dC->dU-editing enzyme APOBEC-3G | RU | nan | None | 10.1016/j.bmc.2010.06.052 |
| Homo sapiens | HCT-8 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | nan | None | 10.1016/j.bmc.2010.06.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 0.4 | ug.mL-1 | 10.1016/j.bmc.2010.06.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 5.5 | ug.mL-1 | 10.1016/j.bmc.2010.06.052 |
| None | Unchecked | RU | 448.4 | pg/mm2 | 10.1016/j.bmc.2010.06.052 |
| None | Unchecked | RU | 523.3 | pg/mm2 | 10.1016/j.bmc.2010.06.052 |