intermedine
AlkaPlorer ID: AK002981
Synonym: '', 'MLS002694968', 'beta-MSH', 'Morifoline', 'Heliotridine trachelanthate', 'indicine', '9-(+)-Trachelanthylretronecine', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, 1S-1.alpha.,7(2R*,3R*),7a.alpha.-', 'O-Demethylheliotrine', 'Lycopsamine', 'Echinatine', 'Intermedine', 'Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, 1S-(1.alpha.,7(2R,3S),7a.alpha.)-', '9-Viridiflorylretronecine', '(+)-Echinatine', 'MLSMR', 'Retronecine 9-(-)-viridiflorate', '9-(+)-Trachelanthylheliotridine', 'Indicine', '(1R,7aR)-1-hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-ylmethyl (2R,3S)-2,3-dihydroxy-2-isopropylbutanoate', 'ECHINATINE', 'Rinderine', 'SMR001560881'
IUPAC Name: [(7R,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
Structure
SMILES: CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12)[C@H](C)O
InChI: InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12+,13+,15-/m0/s1
InChIKey: SFVVQRJOGUKCEG-ZGFBFQLVSA-N
Reference
Minor alkaloids of Heliotropium indicum L
PubChem CID: 107938
CAS: 10285-07-1
LOTUS: LTS0048426
SuperNatural Ⅲ: SN0344363-12
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichodesma africanum | Trichodesma | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.367
TPSA？: 90.23
MolLogP？: -0.3273000000000007
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|