Speciosine; (S)-form, O10-De-Me
AlkaPlorer ID: AK313832
Synonym: Specioseine
IUPAC Name: 10-hydroxy-7-[(2-hydroxyphenyl)methyl-methylamino]-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
Structure
SMILES: COC1=CC2=C(C3=CC=C(O)C(=O)C=C3C(N(C)CC3=CC=CC=C3O)CC2)C(OC)=C1OC
InChI: InChI=1S/C27H29NO6/c1-28(15-17-7-5-6-8-21(17)29)20-11-9-16-13-24(32-2)26(33-3)27(34-4)25(16)18-10-12-22(30)23(31)14-19(18)20/h5-8,10,12-14,20,29H,9,11,15H2,1-4H3,(H,30,31)
InChIKey: LRKICIBMVROIRW-UHFFFAOYSA-N
Reference
Alkaloid specioseine from Colchicum speciosum
PubChem CID: 14832009
CAS: 142735-47-5
LOTUS: LTS0071010
COCONUT: CNP0393329.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum speciosum | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 463.5300000000003
TPSA？: 88.46000000000001
MolLogP？: 4.270100000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|