Holadienine
AlkaPlorer ID: AK041920
Synonym: ''
IUPAC Name: (1S,2S,5S,6S,9S,12S,13S)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-dien-16-one
Structure
SMILES: C[C@H]1[C@H]2CC[C@H]3[C@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@H]4CC[C@@]23CN1C
InChI: InChI=1S/C22H31NO/c1-14-18-6-7-20-17-5-4-15-12-16(24)8-10-21(15,2)19(17)9-11-22(18,20)13-23(14)3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3/t14-,17-,18+,19-,20-,21+,22+/m0/s1
InChIKey: PSOQPSXOOXHHBU-TVDWCQHHSA-N
Reference
Holarrhesin, ein neues Steroidalkaloid aus Holarrhena floribunda
PubChem CID: 162982206
LOTUS: LTS0019843
SuperNatural Ⅲ: SN0294082-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holarrhena floribunda | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 325.4960000000001
TPSA？: 20.31
MolLogP？: 4.224500000000004
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|