Conofoline
AlkaPlorer ID: AK292927
Synonym: Pedunculine
IUPAC Name: methyl 12-ethyl-16-(12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl)-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
Structure
SMILES: CCC12CC(C(=O)OC)=C3NC4=C(OC)C(OC)=C(O)C=C4C34CCN(C(C3=CC=C5C(=C3)C36CCN7CC8OC8C(CC)(CCC3N5C)C76)C3OC31)C42
InChI: InChI=1S/C43H52N4O7/c1-7-40-12-11-28-42(13-15-46(38(40)42)20-27-35(40)53-27)23-17-21(9-10-25(23)45(28)3)30-33-36(54-33)41(8-2)19-22(37(49)52-6)34-43(14-16-47(30)39(41)43)24-18-26(48)31(50-4)32(51-5)29(24)44-34/h9-10,17-18,27-28,30,33,35-36,38-39,44,48H,7-8,11-16,19-20H2,1-6H3
InChIKey: AXBZVPIBJWOFHO-UHFFFAOYSA-N
Reference
Biologically active indole and bisindole alkaloids from Tabernaemontana divaricata
PubChem CID: 85043184
LOTUS: LTS0161890
COCONUT: CNP0207659.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana divaricata | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ervatamia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 736.91
TPSA？: 111.8
MolLogP？: 4.998200000000004
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|