Dehatridine
AlkaPlorer ID: AK077603
Synonym: ''
IUPAC Name: (1S)-20,25-dimethoxy-30-methyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-9,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@H]3CC1=CC=C(C=C1)OC1=CC(=CC=C1O)CC1=C3C(=C(O)C(OC)=CC3=CC=N1)O2
InChI: InChI=1S/C35H32N2O6/c1-37-13-11-22-17-30(40-2)31-19-25(22)27(37)15-20-4-7-24(8-5-20)42-29-16-21(6-9-28(29)38)14-26-33-23(10-12-36-26)18-32(41-3)34(39)35(33)43-31/h4-10,12,16-19,27,38-39H,11,13-15H2,1-3H3/t27-/m0/s1
InChIKey: ZWGJUTHSSSKIEX-MHZLTWQESA-N
Reference
A Major Alkaloid of the Leaves and Stems of Stephania rotunda
PubChem CID: 14262874
LOTUS: LTS0136709
SuperNatural Ⅲ: SN0481984-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dehaasia incrassata | Dehaasia | Lauraceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 576.6490000000002
TPSA？: 93.51000000000002
MolLogP？: 6.923700000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|