Baculiferin L
AlkaPlorer ID: AK099466
Synonym: None
IUPAC Name: 2-[10,14-bis(3,4-dihydroxyphenyl)-5,6,18,19-tetrahydroxy-9,15-dioxo-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1,3,5,7,10,13,16,18,20-nonaen-12-yl]acetic acid
Structure
SMILES: O=C(O)CN1C2=C(C3=CC=C(O)C(O)=C3)C(=O)C3=CC(O)=C(O)C=C3C2=C2C3=CC(O)=C(O)C=C3C(=O)C(C3=CC=C(O)C(O)=C3)=C21
InChI: InChI=1S/C34H21NO12/c36-18-3-1-12(5-20(18)38)27-31-29(14-7-22(40)24(42)9-16(14)33(27)46)30-15-8-23(41)25(43)10-17(15)34(47)28(32(30)35(31)11-26(44)45)13-2-4-19(37)21(39)6-13/h1-10,36-43H,11H2,(H,44,45)
InChIKey: NBMZMDMAVHEATH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Iotrochota baculifera | Iotrochota | Iotrochotidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 635.5370000000003
TPSA？: 238.20999999999995
MolLogP？: 2.342100000000003
Number of H-Donors: 9
Number of H-Acceptors: 12
RingCount: 7
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 | 2170.7 | pg/mm2 | 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 | 4.1 | ug.mL-1 | 10.1016/j.bmc.2010.06.052 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 7.0 | ug.mL-1 | 10.1016/j.bmc.2010.06.052 |
| None | Unchecked | RU | 469.0 | pg/mm2 | 10.1016/j.bmc.2010.06.052 |
| None | Unchecked | RU | 1983.2 | pg/mm2 | 10.1016/j.bmc.2010.06.052 |