N-[(1S,3R,6S,8R,11S,12S,16S)-15-acetyl-12,16-dimethyl-7-methylidenepentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadec-14-en-6-yl]-N-methylacetamide
AlkaPlorer ID: AK164220
Synonym: None
IUPAC Name: N-[(1S,3R,6S,8R,11S,12S,16S)-15-acetyl-12,16-dimethyl-7-methylidene-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-14-enyl]-N-methylacetamide
Structure
SMILES: C=C1[C@@H](N(C)C(C)=O)CC[C@]23C[C@]24CC[C@]2(C)C(C(C)=O)=CC[C@@]2(C)[C@@H]4CC[C@@H]13
InChI: InChI=1S/C26H37NO2/c1-16-19-7-8-22-24(5)11-9-20(17(2)28)23(24,4)13-14-26(22)15-25(19,26)12-10-21(16)27(6)18(3)29/h9,19,21-22H,1,7-8,10-15H2,2-6H3/t19-,21-,22-,23+,24-,25+,26-/m0/s1
InChIKey: HALJBSNTDPUVQJ-AFDLWWQSSA-N
Reference
Four steroidal alkaloids from Buxus papilosa
PubChem CID: 14109891
LOTUS: LTS0158177
SuperNatural Ⅲ: SN0120266-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Buxus papillosa | Buxus | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.58700000000016
TPSA？: 37.38
MolLogP？: 5.311500000000006
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|