(+)-O-Methylthalicberine
AlkaPlorer ID: AK030523
Synonym: '', '(+)-O-Methylthalicberine', 'Thalmidine', 'O-Methylisothalicberine', 'O-Methylthalicberine'
IUPAC Name: (3S,21S)-10,14,15,26-tetramethoxy-4,20-dimethyl-12,28-dioxa-4,20-diazaheptacyclo[27.2.2.17,11.113,17.123,27.03,8.021,35]hexatriaconta-1(32),7(36),8,10,13(35),14,16,23(34),24,26,29(33),30-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)C[C@H]1C3=CC(OC)=C(C=C3CCN1C)OC1=C(OC)C(OC)=CC3=C1[C@H](C2)N(C)CC3
InChI: InChI=1S/C38H42N2O6/c1-39-15-13-25-20-34-32(42-4)22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
InChIKey: UUURWWVPMHAACP-KYJUHHDHSA-N
Reference
PubChem CID: 100230
CAS: 5096-71-9
LOTUS: LTS0125352
SuperNatural Ⅲ: SN0380726-01
NPASS: NPC12036
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum minus | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Allium macrostemon | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Berberis laurina | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 622.7620000000001
TPSA？: 61.86000000000001
MolLogP？: 7.162400000000009
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|