Racemosinine B
AlkaPlorer ID: AK083065
Synonym: None
IUPAC Name: (1R)-20,25-dimethoxy-30-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),14,16,18,20,22(33),24,26,31-tetradecaene-6,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)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)15-21-6-9-28(38)29(16-21)42-24-7-4-20(5-8-24)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-/m1/s1
InChIKey: PWVLBPQSZKHZHU-HHHXNRCGSA-N
Reference
Cytotoxic Bisbenzylisoquinoline Alkaloids from the Roots of <i>Cyclea racemosa</i>
PubChem CID: 46872349
CAS: 1236805-09-6
LOTUS: LTS0173434
SuperNatural Ⅲ: SN0297263-01
NPASS: NPC201508
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cyclea racemosa | Cyclea | Menispermaceae | Ranunculales | 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 |
|---|---|---|---|---|---|
| Homo sapiens | A2780 | IC50 | 10000.0 | nM | 10.1021/np1001863 |
| Homo sapiens | Bel-7402 | IC50 | 10000.0 | nM | 10.1021/np1001863 |
| Homo sapiens | HCT-8 | IC50 | 10000.0 | nM | 10.1021/np1001863 |