Dehatrine; (ξ)-form, 3',4'-Didehydro, α'-oxo
AlkaPlorer ID: AK294695
Synonym: Oxofangchirine
IUPAC Name: 9,20,21,25-tetramethoxy-15-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,28,31-tetradecaen-2-one
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C(=O)C1=NC=CC3=C1C=C(OC1=C4C(=CC(OC)=C1OC)CCN(C)C4C2)C(OC)=C3
InChI: InChI=1S/C37H34N2O7/c1-39-15-13-24-19-32(43-4)36(44-5)37-33(24)27(39)16-21-6-11-28(41-2)30(17-21)45-25-9-7-22(8-10-25)35(40)34-26-20-31(46-37)29(42-3)18-23(26)12-14-38-34/h6-12,14,17-20,27H,13,15-16H2,1-5H3
InChIKey: INUHRHLZFLIFNB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichosanthes kirilowii | Trichosanthes | Cucurbitaceae | Cucurbitales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Stephania tetrandra | Stephania | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 618.6860000000003
TPSA？: 88.58000000000001
MolLogP？: 7.169900000000006
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|