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Ingredients

2alpha,3beta-dihydroxylup-20(29)-en-28-oic acid

C30H48O4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
3

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
2alpha,3beta-dihydroxylup-20(29)-en-28-oic acid
Molecular Formula
C30H48O4
Molecular Weight
No data
Canonical SMILES
CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C(=O)O
Isomeric SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)C(=O)O
InChI
InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
Oral Bioavailability
17.690
Drug Likeness
0.427
DL Score
No data
Caco-2 Permeability
No data
ALogP
No data
Bioavailability Score
No data

Identifiers

InChI Key
No data
PubChem CID
No data

Description and Extensions

Toxicity Information
No data
Related

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient1 Herbs
01
金樱子
Jin Ying Zi / Fructus Rosae Laevigatae; Rosae Laevigatae Fructus
Jin Ying ZiFructus Rosae Laevigatae; Rosae Laevigatae Fructus