20-Aminopregn-5-ene-3,16-diol; (3β,16β,20S)-form, 3-Me ether, N,N-di-Me
AlkaPlorer ID: AK287273
Synonym: 20-(Dimethylamino)-3-methoxypregn-5-en-16-ol, Pachyaximine B
IUPAC Name: 17-[1-(dimethylamino)ethyl]-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-ol
Structure
SMILES: COC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(O)C2C(C)N(C)C)C1
InChI: InChI=1S/C24H41NO2/c1-15(25(4)5)22-21(26)14-20-18-8-7-16-13-17(27-6)9-11-23(16,2)19(18)10-12-24(20,22)3/h7,15,17-22,26H,8-14H2,1-6H3
InChIKey: SHODHJIHSJWYCM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachysandra axillaris | Pachysandra | Buxaceae | Buxales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 375.5970000000001
TPSA？: 32.7
MolLogP？: 4.501300000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|