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Ingredients

(4as,6ar,6as,6br,8as,10r,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

C30H48O3

Entity Type
Ingredients
Relation Groups
2
Relation Preview
3

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(4as,6ar,6as,6br,8as,10r,12ar,14bs)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Formula
C30H48O3
Molecular Weight
No data
Canonical SMILES
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C
Isomeric SMILES
C[C@]12CC[C@H](C([C@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O
InChI
InChI=1S/C30H48O3/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/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,27-,28+,29+,30-/m0/s1
Oral Bioavailability
12.249
Drug Likeness
0.409
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
菊苣
Ju Ju / Herba Cichorii; Herba Cichorii; Radix Cichorii
Ju JuHerba Cichorii; Herba Cichorii; Radix Cichorii