(-)-Demethylnorpleiomutine
AlkaPlorer ID: AK197479
Synonym: ''
IUPAC Name: (1R,9R,16R,18R,21S)-6-[(15R,17S,19R)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylic acid
Structure
SMILES: CC[C@]12CCCN3CCC4=C([C@H]31)N(C1=CC=CC=C41)[C@H](C1=CC=C3N[C@@]45CC[C@]6(CCCN7CC[C@@]4(C3=C1)[C@@H]76)C[C@H]5C(=O)O)C2
InChI: InChI=1S/C39H46N4O2/c1-2-36-12-5-17-41-19-11-26-25-7-3-4-8-30(25)43(32(26)33(36)41)31(23-36)24-9-10-29-27(21-24)38-16-20-42-18-6-13-37(35(38)42)14-15-39(38,40-29)28(22-37)34(44)45/h3-4,7-10,21,28,31,33,35,40H,2,5-6,11-20,22-23H2,1H3,(H,44,45)/t28-,31-,33-,35-,36+,37+,38+,39+/m0/s1
InChIKey: YKJPOSKZESOFGR-IJOLKIGYSA-N
Reference
Alkaloids from Kopsia dasyrachis
PubChem CID: 162992547
LOTUS: LTS0102847
SuperNatural Ⅲ: SN0452776-02
Source
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Properties Information
Molecule Weight: 602.8230000000004
TPSA？: 60.74
MolLogP？: 6.878700000000007
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 12
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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