Lactupicrin
precursor
Showing entry for Lactupicrin
Identification
- PhytoHub ID
- PHUB000134
- Name
- Lactupicrin
- Synonyms
- Intibin
- CAS Number
- Not Available
- Average Mass
- 410.422
- Monoisotopic Mass
- 410.136553048
- Chemical Formula
- C23H22O7
- IUPAC Name
- lactupicrin
- InChI Key
- UMVSOHBRAQTGQI-XGARDCMYSA-N
- InChI Identifier
InChI=1S/C23H22O7/c1-11-7-17(29-18(27)8-13-3-5-15(25)6-4-13)20-12(2)23(28)30-22(20)21-14(10-24)9-16(26)19(11)21/h3-6,9,17,20-22,24-25H,2,7-8,10H2,1H3/t17-,20+,21-,22-/m0/s1
- SMILES
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](C1)OC(=O)CC1=CC=C(O)C=C1)C(CO)=CC2=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.77e-02 g/l
- LogS (ALOGPS)
- -3.67
- LogP (ALOGPS)
- 1.99
- Hydrogen Acceptors
- 5
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 5
- Polar Surface Area
- 110.13
- Refractivity
- 107.7194
- Polarizability
- 42.280006613117735
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.7605641572173
- pKa (strongest acidic)
- 9.496287755861692
Taxonomy
- Family
- Terpenoids
- Class
- Sesquiterpenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Chicory | Vegetables, Root vegetables | Publications | Show | |
| Lettuce | Vegetables, Leaf vegetables | Publications | Show |
Metabolism
No metabolism information available
Lactupicrin