Isothalmidine
AlkaPlorer ID: AK035824
Synonym: '(+)-Isothalmidine'
IUPAC Name: (9R,22S)-17,29-dihydroxy-6,28,35-trimethoxy-23-methyl-15-oxa-8,23-diazaheptacyclo[20.6.2.22,5.211,14.116,20.04,9.026,30]pentatriaconta-1(28),2,4,6,11,13,16,18,20(31),26,29,32,34-tridecaene-8-carbaldehyde
Structure
SMILES: COC1=CN(C=O)[C@@H]2CC3=CC=C(C=C3)OC3=CC(=CC=C3O)C[C@H]3C4=C(C=C(OC)C(=C4O)C4=CC2=C1C=C4OC)CCN3C
InChI: InChI=1S/C37H36N2O7/c1-38-12-11-23-16-33(44-3)36-27-17-25-26(18-31(27)43-2)34(45-4)19-39(20-40)28(25)13-21-5-8-24(9-6-21)46-32-15-22(7-10-30(32)41)14-29(38)35(23)37(36)42/h5-10,15-20,28-29,41-42H,11-14H2,1-4H3/t28-,29+/m1/s1
InChIKey: ANFCLBKOBMSSLU-WDYNHAJCSA-N
Reference
Alkaloids from Isopyrum thalictroides L.
PubChem CID: 162936564
LOTUS: LTS0054173
SuperNatural Ⅲ: SN0010085-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 620.7020000000001
TPSA？: 100.93
MolLogP？: 6.360000000000008
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|