Thalidasine; O7,N2-Di-de-Me, N2-formyl
AlkaPlorer ID: AK315778
Synonym: Thalpindione, 2-Formyl-2-northalidasine, 7-O-Demethylthalrugosinone
IUPAC Name: 15-hydroxy-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7(12),8,10,14(36),15,17,24(35),25,27,30,33-dodecaene-21-carbaldehyde
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(CCN1C)C(=C(OC)C(OC)=C3)OC1=C(O)C(OC)=CC3=C1C(C2)N(C=O)CC3
InChI: InChI=1S/C38H40N2O8/c1-39-14-13-26-27-20-33(45-4)37(46-5)36(26)48-38-34-24(19-32(44-3)35(38)42)12-15-40(21-41)29(34)17-23-8-11-30(43-2)31(18-23)47-25-9-6-22(7-10-25)16-28(27)39/h6-11,18-21,28-29,42H,12-17H2,1-5H3
InChIKey: CRIBSGNDLYNZDL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum alpinum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 652.7440000000001
TPSA？: 99.16
MolLogP？: 6.394600000000008
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|