Pentacyclindole
AlkaPlorer ID: AK058135
Synonym: None
IUPAC Name: (1S,12R,13R,18S)-12,13,17,17-tetramethyl-3-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-2(10),4,6,8,16(20)-pentaen-18-ol
Structure
SMILES: C[C@@H]1CCC2=C3[C@H](C[C@H](O)C2(C)C)C2=C(C[C@@]31C)C1=CC=CC=C1N2
InChI: InChI=1S/C23H29NO/c1-13-9-10-17-20-15(11-19(25)22(17,2)3)21-16(12-23(13,20)4)14-7-5-6-8-18(14)24-21/h5-8,13,15,19,24-25H,9-12H2,1-4H3/t13-,15+,19+,23-/m1/s1
InChIKey: MIQYAOWHEHWVNN-ISJXTJTLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Greenwayodendron suaveolens | Greenwayodendron | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 335.491
TPSA？: 36.02
MolLogP？: 5.331200000000004
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np1001225 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/np1001225 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np1001225 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 8.0 | ug.mL-1 | 10.1021/np1001225 |