(1R,2S,5S,6S,9S,10S,12S,13R,16R)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.0²,⁹.0⁵,⁹.0¹³,¹⁸]icos-18-en-10-ol
AlkaPlorer ID: AK001296
Synonym: None
IUPAC Name: (1R,2S,5S,6S,9S,10S,12S,13R,16R)-16-(dimethylamino)-6,7,13-trimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-10-ol
Structure
SMILES: C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](N(C)C)CC[C@]5(C)[C@H]4C[C@H](O)[C@]23CN1C
InChI: InChI=1S/C24H40N2O/c1-15-19-8-9-20-18-7-6-16-12-17(25(3)4)10-11-23(16,2)21(18)13-22(27)24(19,20)14-26(15)5/h6,15,17-22,27H,7-14H2,1-5H3/t15-,17+,18-,19+,20-,21-,22-,23-,24+/m0/s1
InChIKey: QESDNCVYXJTJRY-LJKLSJKCSA-N
Reference
Alkaloids from the bark of Holarrhena pubescens
PubChem CID: 162855577
LOTUS: LTS0021734
SuperNatural Ⅲ: SN0303394-06
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Holarrhena pubescens | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 372.5970000000001
TPSA？: 26.71
MolLogP？: 3.780400000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|