Hernandezine; O5-De-Me, N2-de-Me
AlkaPlorer ID: AK300231
Synonym: N-Desmethylthalidezine
IUPAC Name: 9,20,21,25-tetramethoxy-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),18(33),19,21,24,26,31-dodecaen-19-ol
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=C(C=C(OC)C(=C3)OC3=C4C(=C(O)C(OC)=C3OC)CCNC4C2)CCN1C
InChI: InChI=1S/C37H40N2O7/c1-39-15-13-23-19-30(42-3)32-20-26(23)28(39)17-21-6-9-24(10-7-21)45-31-18-22(8-11-29(31)41-2)16-27-33-25(12-14-38-27)34(40)36(43-4)37(44-5)35(33)46-32/h6-11,18-20,27-28,38,40H,12-17H2,1-5H3
InChIKey: QUNLCUCOOQVXQM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum podocarpum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 624.734
TPSA？: 90.88
MolLogP？: 6.525800000000007
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|