1-[1-(dimethylamino)ethyl]-N,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-amine
AlkaPlorer ID: AK077073
Synonym: None
IUPAC Name: (3R,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-(dimethylamino)ethyl]-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Structure
SMILES: CN[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)N(C)C)[C@@]4(C)CC[C@@H]32)C1
InChI: InChI=1S/C24H42N2/c1-16(26(5)6)20-9-10-21-19-8-7-17-15-18(25-4)11-13-23(17,2)22(19)12-14-24(20,21)3/h7,16,18-22,25H,8-15H2,1-6H3/t16-,18+,19-,20+,21-,22-,23-,24+/m0/s1
InChIKey: ZTDNKQJEIFATQN-QAKNPMBRSA-N
Reference
Studies on the Constituents of Scabiosa japonica MIQ
PubChem CID: 192462
CAS: 150036-82-1
LOTUS: LTS0203683
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Croomia japonica | Croomia | Stemonaceae | Pandanales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 358.6140000000002
TPSA？: 15.27
MolLogP？: 5.103500000000006
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|