Speciosine; (S)-form
AlkaPlorer ID: AK313829
Synonym: None
IUPAC Name: 7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3,10-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: COC1=C(OC)C(OC)=C2C(=C1)CCC(N(C)CC1=CC=CC=C1O)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C28H31NO6/c1-29(16-18-8-6-7-9-22(18)30)21-12-10-17-14-25(33-3)27(34-4)28(35-5)26(17)19-11-13-24(32-2)23(31)15-20(19)21/h6-9,11,13-15,21,30H,10,12,16H2,1-5H3
InChIKey: SOFSXTKPGSIDCI-UHFFFAOYSA-N
Reference
X-Ray structural investigation of the alkaloid speciosine
PubChem CID: 28126
LOTUS: LTS0063514
COCONUT: CNP0229465.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum speciosum | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 477.5570000000002
TPSA？: 77.46
MolLogP？: 4.573100000000005
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|