Berbamine
AlkaPlorer ID: AK001118
Synonym: '', 'Penduline', '(+)-Berbamine', 'Berbamine', 'Pycnamine', 'd-Berbamine', '(+)-Penduline'
IUPAC Name: (1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-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),18,20,22(33),24,26,31-dodecaen-9-ol
Structure
SMILES: COC1=CC2=C3C=C1OC1=C4C(=CC(OC)=C1OC)CCN(C)[C@H]4CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]3N(C)CC2
InChI: InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-/m0/s1
InChIKey: DFOCUWZXJBAUSQ-VMPREFPWSA-N
Reference
Chemical Investigation of<i>Cocculus leaebe</i>
PubChem CID: 6330552
LOTUS: LTS0260189
SuperNatural Ⅲ: SN0064412-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aconitum japonicum | Aconitum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 608.735
TPSA？: 72.86
MolLogP？: 6.859400000000009
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|