Nortiliacorine A
AlkaPlorer ID: AK047109
Synonym: '', 'Nortiliacorinine B', 'Nortiliacorinine A'
IUPAC Name: (8S,21S)-16,27-dimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25,27,32-dodecaen-13-ol
Structure
SMILES: COC1=CC=C2C=C1C1=C(O)C=CC(=C1)C[C@@H]1NCCC3=C1C=C1OC4=C5C(=CC(OC)=C4OC1=C3)CCN(C)[C@H]5C2
InChI: InChI=1S/C35H34N2O5/c1-37-11-9-22-17-32(40-3)34-35-33(22)27(37)15-20-5-7-29(39-2)25(13-20)24-12-19(4-6-28(24)38)14-26-23-18-31(42-35)30(41-34)16-21(23)8-10-36-26/h4-7,12-13,16-18,26-27,36,38H,8-11,14-15H2,1-3H3/t26-,27-/m0/s1
InChIKey: DOUULZLWVARYRD-SVBPBHIXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tiliacora triandra | Tiliacora | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 562.6660000000003
TPSA？: 72.42
MolLogP？: 6.489000000000006
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MRC5 | Activity | nan | None | 10.1016/j.bmcl.2012.02.053 |
| Homo sapiens | MRC5 | IC50 | 3.8 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 1.5 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 3.1 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 6.2 | ug.mL-1 | 10.1016/j.bmcl.2012.02.053 |