13,15-dimethyl (1R,2R,6R,14S,15R,16R,18R,20S)-15,20-dihydroxy-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: AK521798
Synonym: None
IUPAC Name: dimethyl 15,20-dihydroxy-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(O)C6(CCC12C(O)(C(=O)OC)C6O5)C43
InChI: InChI=1S/C23H26N2O7/c1-30-18(27)23(29)17-20-7-8-22(23)21(9-10-24(16(20)21)15(32-17)11-14(20)26)12-5-3-4-6-13(12)25(22)19(28)31-2/h3-6,14-17,26,29H,7-11H2,1-2H3
InChIKey: SGULZRPTCAQSHB-UHFFFAOYSA-N
Reference
New Indole Alkaloids from Kopsia Singapurensis (RIDL.)
PubChem CID: 163038231
CAS: 158182-15-1
LOTUS: LTS0226336
COCONUT: CNP0318464.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia singapurensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 442.46800000000025
TPSA？: 108.77
MolLogP？: 0.5112999999999998
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|