Conophyllidine; 11,12-Bis(demethoxy), 10-deoxy
AlkaPlorer ID: AK292929
Synonym: Melodinine K
IUPAC Name: dimethyl 13,24-diethyl-23-hydroxy-21-oxa-1,9,17,28-tetrazaundecacyclo[22.13.1.16,9.02,22.03,20.05,18.06,16.027,35.029,34.035,38.013,39]nonatriaconta-3,5(18),11,15,19,26,29,31,33-nonaene-15,26-dicarboxylate
Structure
SMILES: CCC12C=CCN3CCC4(C(=C(C(=O)OC)C1)NC1=CC5=C(C=C14)C1C(O5)C(O)C4(CC)CC(C(=O)OC)=C5NC6=CC=CC=C6C56CCN1C64)C32
InChI: InChI=1S/C42H46N4O6/c1-5-39-12-9-15-45-16-13-42(37(39)45)26-18-22-29(19-28(26)44-32(42)23(20-39)35(48)50-3)52-31-30(22)46-17-14-41-25-10-7-8-11-27(25)43-33(41)24(36(49)51-4)21-40(6-2,34(31)47)38(41)46/h7-12,18-19,30-31,34,37-38,43-44,47H,5-6,13-17,20-21H2,1-4H3
InChIKey: YQIMTIRTIOECPN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melodinus tenuicaudatus | Melodinus | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 702.8520000000001
TPSA？: 112.6
MolLogP？: 5.062800000000005
Number of H-Donors: 3
Number of H-Acceptors: 10
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|