Stebisimine
AlkaPlorer ID: AK014929
Synonym: N-Nor-1,2-dehydroepistephanine
IUPAC Name: 6,20,21,25-tetramethoxy-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-1(30),3(36),4,6,9(35),10,12(34),14,18,20,22(33),24,26,31-tetradecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1=NCCC3=CC(OC)=C(OC)C(=C13)OC1=C(OC)C=C3CCN=C(C2)C3=C1
InChI: InChI=1S/C36H34N2O6/c1-39-29-10-7-22-16-27-26-20-32(30(40-2)18-23(26)11-13-37-27)44-36-34-24(19-33(41-3)35(36)42-4)12-14-38-28(34)15-21-5-8-25(9-6-21)43-31(29)17-22/h5-10,17-20H,11-16H2,1-4H3
InChIKey: PPHBQUYBKOCYSQ-UHFFFAOYSA-N
Reference
Constitution of four new hasubanan alkaloids from Stephania japonica miers.
PubChem CID: 3083913
CAS: 5692-4-6
LOTUS: LTS0020664
SuperNatural Ⅲ: SN0291567
NPASS: NPC15237
COCONUT: CNP0374262
Source
Properties Information
Molecule Weight: 590.6760000000002
TPSA？: 80.10000000000001
MolLogP？: 6.794800000000008
Number of H-Donors: 0
Number of H-Acceptors: 8
RingCount: 8
Activities Information
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