13,15-dimethyl (1R,2R,6R,14S,15R,16R,18R,20S)-15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.0¹,¹⁶.0²,⁶.0³,¹⁸.0⁶,¹⁴.0⁷,¹²]docosa-7(12),8,10-triene-13,15-dicarboxylate
AlkaPlorer ID: AK347355
Synonym: None
IUPAC Name: dimethyl 15-hydroxy-20-methoxy-17-oxa-3,13-diazaheptacyclo[12.6.2.01,16.02,6.03,18.06,14.07,12]docosa-7,9,11-triene-13,15-dicarboxylate
Structure
SMILES: COC(=O)N1C2=CC=CC=C2C23CCN4C5CC(OC)C6(CCC12C(O)(C(=O)OC)C6O5)C43
InChI: InChI=1S/C24H28N2O7/c1-30-15-12-16-25-11-10-22-13-6-4-5-7-14(13)26(20(28)32-3)23(22)9-8-21(15,17(22)25)18(33-16)24(23,29)19(27)31-2/h4-7,15-18,29H,8-12H2,1-3H3
InChIKey: BRXMYFHIYLHURN-UHFFFAOYSA-N
Reference
New Indole Alkaloids from Kopsia Singapurensis (RIDL.)
PubChem CID: 163032211
CAS: 158182-16-2
LOTUS: LTS0250889
COCONUT: CNP0311118.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia singapurensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 456.4950000000003
TPSA？: 97.77
MolLogP？: 1.1653999999999998
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|