Archangelicin
precursor
Showing entry for Archangelicin
Identification
- PhytoHub ID
- PHUB000235
- Name
- Archangelicin
- Systematic Name
- Not Available
- 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
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
- Number of Rings
- 3
- Rule of Five
- No
- Bioavailability
- Yes
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- PubChem
- 72734291
Taxonomy as Precursor
- Family
- Polyphenols
- Class
- Coumarins and Furanocoumarins
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
Name | Group | |||
---|---|---|---|---|
Angelica | Herbs and Spices | Publications | Show |
Metabolism
No metabolism information available
Inter-Individual Variations Metabolism
No inter-individual variations available