(+)-calycanthidine
AlkaPlorer ID: AK005506
Synonym: '', 'Calycanthidine'
IUPAC Name: (3aR,8bS)-8b-[(3aS,8bS)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
Structure
SMILES: CN1CC[C@@]2([C@@]34CCN(C)[C@@H]3NC3=CC=CC=C34)C3=CC=CC=C3N(C)[C@@H]12
InChI: InChI=1S/C23H28N4/c1-25-14-12-22(16-8-4-6-10-18(16)24-20(22)25)23-13-15-26(2)21(23)27(3)19-11-7-5-9-17(19)23/h4-11,20-21,24H,12-15H2,1-3H3/t20-,21+,22+,23+/m0/s1
InChIKey: GSQUXSFTXJRLQJ-WBADGQHESA-N
Reference
Constituents from Chimonanthus praecox (wintersweet)
PubChem CID: 16722158
LOTUS: LTS0228491
SuperNatural Ⅲ: SN0114319-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chimonanthus praecox | Chimonanthus | Calycanthaceae | Laurales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.5050000000001
TPSA？: 21.75
MolLogP？: 3.060900000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|