Speciosine; (S)-form, Deoxy
AlkaPlorer ID: AK313833
Synonym: Speciosamine
IUPAC Name: 7-[benzyl(methyl)amino]-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=C1)C1=CC(=O)C(OC)=CC=C12
InChI: InChI=1S/C28H31NO5/c1-29(17-18-9-7-6-8-10-18)22-13-11-19-15-25(32-3)27(33-4)28(34-5)26(19)20-12-14-24(31-2)23(30)16-21(20)22/h6-10,12,14-16,22H,11,13,17H2,1-5H3
InChIKey: RTCGBTQZHZZPDC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colchicum speciosum | Colchicum | Colchicaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 461.55800000000016
TPSA？: 57.23
MolLogP？: 4.867500000000005
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|