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
FreewebChemaxon powered

Taxonomy

Family
Terpenoids
Class
Sesquiterpenoids
Sub-class
Not Available

Spectra

No spectra information available

Food Sources

NameGroup
ChicoryVegetables, Root vegetables PublicationsShow
LettuceVegetables, Leaf vegetables PublicationsShow

Metabolism

No metabolism information available

Back