2-[(16Z)-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.0¹,?.0²,?.0¹²,¹?.0¹?,¹?]icosa-2(7),3,5,8-tetraen-16-ylidene]ethan-1-ol
AlkaPlorer ID: AK319170
Synonym: None
IUPAC Name: (2Z)-2-[(1R,12S,13S,17R,19S)-4,6-dimethoxy-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraen-16-ylidene]ethanol
Structure
SMILES: COC1=CC(OC)=C2N=C3OC[C@H]4[C@H]5C[C@@H]6N(C/C5=C\CO)[C@H]4C[C@]36C2=C1
InChI: InChI=1S/C21H24N2O4/c1-25-12-5-15-19(17(6-12)26-2)22-20-21(15)8-16-14(10-27-20)13-7-18(21)23(16)9-11(13)3-4-24/h3,5-6,13-14,16,18,24H,4,7-10H2,1-2H3/b11-3+/t13-,14-,16-,18-,21+/m0/s1
InChIKey: JHEWUOHZDCTKBI-QPUYBBDMSA-N
Reference
Monoterpenoid Indole Alkaloids from <i>Gardneria ovata</i>
PubChem CID: 54582102
LOTUS: LTS0049455
NPASS: NPC217294
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gardneria ovata | Gardneria | Loganiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 368.43300000000016
TPSA？: 63.52
MolLogP？: 2.0267
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | HL-60 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | MCF7 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | SMMC-7721 | IC50 | 40000.0 | nM | 10.1021/np2000254 |
| Homo sapiens | SW480 | IC50 | 40000.0 | nM | 10.1021/np2000254 |