(+)-(20S)-20-(dimethylamino)-16alpha-hydroxy-3beta-(30alpha-isopropyl)-la+
AlkaPlorer ID: AK069680
Synonym: 'terminamine A'
IUPAC Name: (3R)-1-[(3S,5R,8R,9S,10R,13S,14S,16R,17S)-17-[(1S)-1-(dimethylamino)ethyl]-16-hydroxy-10,13-dimethyl-4-oxo-1,2,3,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]-3-propan-2-ylazetidin-2-one
Structure
SMILES: CC(C)[C@@H]1CN([C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@H]43)C2=O)C1=O
InChI: InChI=1S/C29H48N2O3/c1-16(2)19-15-31(27(19)34)23-11-13-28(4)20-10-12-29(5)22(18(20)8-9-21(28)26(23)33)14-24(32)25(29)17(3)30(6)7/h16-25,32H,8-15H2,1-7H3/t17-,18+,19-,20-,21-,22-,23-,24+,25-,28+,29-/m0/s1
InChIKey: CZSDSCGXOOKZPH-NIPGRYHDSA-N
Reference
Novel Bioactive Steroidal Alkaloids from Pachysandra procumbens
PubChem CID: 15462671
LOTUS: LTS0079424
SuperNatural Ⅲ: SN0059971-04
NPASS: NPC44989
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Liabum floribundum | Liabum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bufo gargarizans | Bufo | Bufonidae | Anura | Amphibia | Chordata | Metazoa | Eukaryota |
| Penstemon serrulatus | Penstemon | Plantaginaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 472.7140000000002
TPSA？: 60.85
MolLogP？: 4.228200000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|