Molecule

Neoacrimarine D

AlkaPlorer ID: AK085140

Synonym: ''

IUPAC Name: 6,11-dihydroxy-5-[(4R)-5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-8-oxo-3,4-dihydropyrano[3,2-g]chromen-4-yl]-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

Structure

SMILES: C=CC(C)(C)C1=C2OC(=O)C=CC2=C(O)C2=C1OC(C)(C)C[C@@H]2C1=C2OC(C)(C)C=CC2=C2C(=C1O)C(=O)C1=CC=CC(O)=C1N2C

InChI: InChI=1S/C38H37NO8/c1-9-36(2,3)27-34-20(13-14-23(41)45-34)31(43)24-21(17-38(6,7)47-35(24)27)25-32(44)26-29(19-15-16-37(4,5)46-33(19)25)39(8)28-18(30(26)42)11-10-12-22(28)40/h9-16,21,40,43-44H,1,17H2,2-8H3/t21-/m0/s1

InChIKey: BFIGFOVYMXCKHN-NRFANRHFSA-N

Reference

Part XVII of "Constituents of Domestic Citrus Plants." The Structures of Neoacrimarines-C and -D, Two New Acridone-Coumarin Dimers from Citrus hassaku.

PubChem CID: 163087511

LOTUS: LTS0256772

SuperNatural Ⅲ: SN0023976-01

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Citrus hassaku	Citrus	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 635.7130000000003

TPSA？: 131.36

MolLogP？: 7.255700000000009

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi