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Ingredients

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

C30H46O4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
10

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14bs)-3-hydroxy-4,6a,6b,8a,11,12,14b-heptamethyl-14-oxo-1,2,3,4a,5,6,7,8,9,10,11,12,12a,14a-tetradecahydropicene-4-carboxylic acid
Molecular Formula
C30H46O4
Molecular Weight
No data
Canonical SMILES
CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
Isomeric SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC(=O)[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)O)C)C)[C@@H]2[C@H]1C)C)C
InChI
InChI=1S/C30H46O4/c1-17-8-11-26(3)14-15-28(5)19(23(26)18(17)2)16-20(31)24-27(4)12-10-22(32)30(7,25(33)34)21(27)9-13-29(24,28)6/h16-18,21-24,32H,8-15H2,1-7H3,(H,33,34)/t17-,18+,21-,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
Oral Bioavailability
29.824
Drug Likeness
0.474
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.

Active Targets

ingredient target8 Targets
03
HSD11B1
hydroxysteroid 11-beta dehydrogenase 1
hydroxysteroid 11-beta dehydrogenase 1
04
HSD11B2
hydroxysteroid 11-beta dehydrogenase 2
hydroxysteroid 11-beta dehydrogenase 2
07
PTGS2
prostaglandin-endoperoxide synthase 2
prostaglandin-endoperoxide synthase 2
08
PTPN1
protein tyrosine phosphatase non-receptor type 1
protein tyrosine phosphatase non-receptor type 1