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Ingredients

3beta-hydroxy-oleana-11,13(18)-dien-28-oic acid?

C30H46O3

Entity Type
Ingredients
Relation Groups
4
Relation Preview
19

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
3beta-hydroxy-oleana-11,13(18)-dien-28-oic acid?
Molecular Formula
C30H46O3
Molecular Weight
No data
Canonical SMILES
CC1(CCC2(CCC3(C(=C2C1)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O)C
Isomeric SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2C=CC4=C5CC(CC[C@@]5(CC[C@]43C)C(=O)O)(C)C)C)(C)C)O
InChI
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,21-23,31H,10-18H2,1-7H3,(H,32,33)/t21-,22+,23-,27-,28+,29+,30-/m0/s1
Oral Bioavailability
17.108
Drug Likeness
0.442
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
白芍
Bai Shao / Radix Paeoniae Alba; Paeoniae Radix Alba
Bai ShaoRadix Paeoniae Alba; Paeoniae Radix Alba