Speciosine
Basic information
- CAS
16892-03-8- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)Cc1ccccc1O)CC2- InChIKey
SOFSXTKPGSIDCI-NRFANRHFSA-N- Molecular formula
- C28H31NO6
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.21513771
Overview
Speciosine has been reported in Colchicum ritchii and Colchicum speciosum with data available.
Names & identifiers
- Preferred name
- Speciosine
- IUPAC
- (7S)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Names & synonyms
Speciosine16892-03-8(7S)-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one(7S)-7-((2-hydroxyphenyl)methyl-methylamino)-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo(a)heptalen-9-oneRefChem:184577Speciozine(S)-7-((2-hydroxybenzyl)(methyl)amino)-1,2,3,10-tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-oneOprea1_802014CHEMBL314457SCHEMBL32665404DTXSID60937565NSC317021
Show more names
AKOS002141362NSC-317021AH-214/21074010(7S)-7-{[(2-Hydroxyphenyl)methyl](methyl)amino}-1,2,3,10-tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one7-{[(2-Hydroxyphenyl)methyl](methyl)amino}-1,2,3,10-tetramethoxy-6,7-dihydrobenzo[a]heptalen-9(5H)-one
Database identifiers
- CAS
16892-03-8- PubChem CID
- 330188
- DTXSID
DTXSID60937565- ChEMBL
CHEMBL314457- Nikkaji
- J13.950E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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