pubamide
AlkaPlorer ID: AK007261
Synonym: None
IUPAC Name: (1S,2S,5S,6S,9R,11R,12S,13R)-11-hydroxy-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-8,16-dione
Structure
SMILES: C[C@@H]1N=C(O)[C@]23C[C@@H](O)[C@H]4[C@@H](CCC5=CC(=O)C=C[C@@]54C)[C@@H]2CC[C@H]13
InChI: InChI=1S/C21H27NO3/c1-11-15-5-6-16-14-4-3-12-9-13(23)7-8-20(12,2)18(14)17(24)10-21(15,16)19(25)22-11/h7-9,11,14-18,24H,3-6,10H2,1-2H3,(H,22,25)/t11-,14-,15+,16-,17+,18+,20-,21-/m0/s1
InChIKey: ZFDFFZSCUSDQEX-MNDZJSSJSA-N
Reference
Further constituents from the bark of Holarrhena pubescens
PubChem CID: 12044304
LOTUS: LTS0229001
SuperNatural Ⅲ: SN0468739-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holarrhena pubescens | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4510000000001
TPSA？: 69.89000000000001
MolLogP？: 3.220000000000001
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|