Identification

PhytoHub ID
PHUB000260
Name
Paradisin B
Synonyms
Not Available
CAS Number
Not Available
Average Mass
708.804
Monoisotopic Mass
708.293447617
Chemical Formula
C42H44O10
IUPAC Name
4-{[(2E)-6-{[(6Z)-3-hydroxy-2,6-dimethyl-8-({7-oxofuro[3,2-g]chromen-4-yl}oxy)oct-6-en-2-yl]oxy}-3,7-dimethylocta-2,7-dien-1-yl]oxy}furo[3,2-g]chromen-7-one
InChI Key
ZXUKAZPCOMPMHC-CXLQOVKTSA-N
InChI Identifier
InChI=1S/C42H44O10/c1-25(2)32(11-7-26(3)15-19-48-40-28-9-13-38(44)50-35(28)23-33-30(40)17-21-46-33)52-42(5,6)37(43)12-8-27(4)16-20-49-41-29-10-14-39(45)51-36(29)24-34-31(41)18-22-47-34/h9-10,13-18,21-24,32,37,43H,1,7-8,11-12,19-20H2,2-6H3/b26-15+,27-16-
SMILES
CC(=C)C(CC\C(C)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2)OC(C)(C)C(O)CC\C(C)=C/COC1=C2C=COC2=CC2=C1C=CC(=O)O2
Structure

Calculated Properties

Solubility (ALOGPS)
2.97e-03 g/l
LogS (ALOGPS)
-5.38
LogP (ALOGPS)
6.98
Hydrogen Acceptors
6
Hydrogen Donors
1
Rotatable Bond Count
16
Polar Surface Area
126.80000000000003
Refractivity
198.82790000000003
Polarizability
77.41363049204172
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.5229141251819622
pKa (strongest acidic)
13.99981695696102
FreewebChemaxon powered

Taxonomy

Family
Polyphenols
Class
Coumarins and Furanocoumarins
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

No metabolism information available

Back