Molecule

852872-93-6

AlkaPlorer ID: AK073213

Synonym: 'thiaplidiaquinone B'

IUPAC Name: (6R)-6-[(1E)-2,6-dimethylhepta-1,5-dienyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-8,8-dioxo-6,9,10,11-tetrahydrochromeno[4,3-g][1,4]benzothiazine-7,12-dione

Structure

SMILES: CC(C)=CCC/C(C)=C/CC1=CC2=C(C=C1O)C1=C(C(=O)C3=C(NCCS3(=O)=O)C1=O)[C@@H](/C=C(\C)CCC=C(C)C)O2

InChI: InChI=1S/C34H41NO6S/c1-20(2)9-7-11-22(5)13-14-24-18-27-25(19-26(24)36)29-30(28(41-27)17-23(6)12-8-10-21(3)4)33(38)34-31(32(29)37)35-15-16-42(34,39)40/h9-10,13,17-19,28,35-36H,7-8,11-12,14-16H2,1-6H3/b22-13+,23-17+/t28-/m1/s1

InChIKey: RSYQGCBRLDOENZ-QKGSUZRZSA-N

Reference

Antitumor Effects of Two Novel Naturally Occurring Terpene Quinones Isolated from the Mediterranean Ascidian <i>Aplidium conicum</i>

PubChem CID: 162896885

LOTUS: LTS0167658

SuperNatural Ⅲ: SN0334445-03

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aplidium conicum	Aplidium	Polyclinidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 591.7700000000002

TPSA？: 109.77

MolLogP？: 6.216100000000007

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi