3,20-Diaminopregn-2-en-4-ol; (4β,5α,20S)-form, N20,N20-Di-Me, N3-tigloyl, 4-Ac
AlkaPlorer ID: AK243401
Synonym: Pachysamine L
IUPAC Name: [17-[1-(dimethylamino)ethyl]-10,13-dimethyl-3-(2-methylbut-2-enoylamino)-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-yl] acetate
Structure
SMILES: CC=C(C)C(O)=NC1=CCC2(C)C(CCC3C2CCC2(C)C3CCC2C(C)N(C)C)C1OC(C)=O
InChI: InChI=1S/C30H48N2O3/c1-9-18(2)28(34)31-26-15-17-30(6)24-14-16-29(5)22(19(3)32(7)8)12-13-23(29)21(24)10-11-25(30)27(26)35-20(4)33/h9,15,19,21-25,27H,10-14,16-17H2,1-8H3,(H,31,34)
InChIKey: JQHRCCJAHRMCPT-UHFFFAOYSA-N
Reference
Pregnane alkaloids from Pachysandra axillaris
PubChem CID: 162857106
LOTUS: LTS0192861
COCONUT: CNP0119966
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra axillaris | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 484.7250000000003
TPSA？: 62.13
MolLogP？: 6.553500000000008
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|