Norelgestromin

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Norelgestromin

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SMILES:C#CC1(O)CCC2C3CCC4=CC(=NO)CCC4C3CCC21CC

InChI:InChI=1S/C21H29NO2/c1-3-20-11-9-17-16-8-6-15(22-24)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23-24H,3,5-12H2,1H3

InChI key:ISHXLNHNDMZNMC-UHFFFAOYSA-N

Categories (non-exhaustive):

Advanced insights

In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.

Interaction of this molecule with metabolism

We use a Deep Learning model to predict the interactions of this molecule with metabolism. Refer to the source to understand the methodology.

Reactions that metabolize this molecule
11-beta-Hydroxylation of sterol BTMR0406
Enzymes: 1.14.15.4
Reagents

Metabolite: InChI=1S/C21H29...

17-OH-Glucuronidation of sterol BTMR0163
Enzymes: 2.4.1.17
Reagents

Metabolite: InChI=1S/C27H37...

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C21H29...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C21H29...

4-Hydroxylation of sterol BTMR0400
Enzymes: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C21H29...

Hydroxylation of penultimate aliphatic secondary carbon BTMR1074
Reagents

Metabolite: InChI=1S/C21H29...

Hydroxylation of terminal methyl BTMR1061
Reagents

Metabolite: InChI=1S/C21H29...

Terminal desaturation BTMR1190
Reagents

Metabolite: InChI=1S/C21H27...

6-Hydroxylation of sterol BTMR0402
Reagents

Metabolite: InChI=1S/C21H29...

Reactions that metabolism produce from this molecule
Hydrolysis of carboxylic acid ester BTMR0143
Enzymes: 3.1.1.1
Products
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