precursor

Showing entry for Archangelicin

Identification

PhytoHub ID
PHUB000235
Name
Archangelicin
Synonyms
Not Available
CAS Number
Not Available
Average Mass
426.465
Monoisotopic Mass
426.167853177
Chemical Formula
C24H26O7
IUPAC Name
2-[(9R)-9-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-8H,9H-furo[2,3-h]chromen-8-yl]propan-2-yl (2Z)-2-methylbut-2-enoate
InChI Key
RVGGCRQPGKFZDS-OGYNRYKTSA-N
InChI Identifier
InChI=1S/C24H26O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h7-12,20-21H,1-6H3/b13-7-,14-8-/t20-,21?/m1/s1
SMILES
C\C=C(\C)C(=O)O[[email protected]]1C(OC2=CC=C3C=CC(=O)OC3=C12)C(C)(C)OC(=O)C(\C)=C/C
Structure
MOLSDFPDBSMILESInChI

Calculated Properties

Solubility (ALOGPS)
3.22e-03 g/l
LogS (ALOGPS)
-5.12
LogP (ALOGPS)
4.93
Hydrogen Acceptors
4
Hydrogen Donors
0
Rotatable Bond Count
7
Polar Surface Area
88.13
Refractivity
115.208
Polarizability
43.74770717813369
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.901387533458658
pKa (strongest acidic)
Not Available
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Taxonomy

Family
Polyphenols
Class
Coumarins and Furanocoumarins
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
AngelicaHerbs and Spices PublicationsShow

Metabolism

No metabolism information available

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