racemosinine A
AlkaPlorer ID: AK129738
Synonym: None
IUPAC Name: (1R,14S)-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),18,20,22(33),24,26,31-dodecaene-6,21-diol
Structure
SMILES: COC1=C2C=C3C(=C1)CCN(C)[C@@H]3CC1=CC=C(O)C(=C1)OC1=CC=C(C=C1)C[C@@H]1NCCC3=C1C(=C(O)C(OC)=C3)O2
InChI: InChI=1S/C35H36N2O6/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/h4-9,16-19,26-27,36,38-39H,10-15H2,1-3H3/t26-,27+/m0/s1
InChIKey: UQNHXSCEVWBPSL-RRPNLBNLSA-N
Reference
Cytotoxic Bisbenzylisoquinoline Alkaloids from the Roots of <i>Cyclea racemosa</i>
PubChem CID: 46872348
CAS: 1236805-08-5
LOTUS: LTS0148288
SuperNatural Ⅲ: SN0377445-01
NPASS: NPC210477
Source
Properties Information
Molecule Weight: 580.6810000000003
TPSA？: 92.65000000000002
MolLogP？: 6.214200000000008
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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