Herb Integrative Database

Traditional Medicine Data Platform

Ingredients

Beta-elemene

C15H24

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Entity Type: Ingredients
Relation Groups: 2
Relation Preview: 16

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name: Beta-elemene
Molecular Formula: C15H24
Molecular Weight: No data
Canonical SMILES: CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
Isomeric SMILES: CC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C
InChI: InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1
Oral Bioavailability: 25.634
Drug Likeness: 0.582
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 Active Targets

Active Targets

ingredient target8 Targets

Graph More Targets

01

acetylcholinesterase (Cartwright blood group)

acetylcholinesterase (Cartwright blood group)

02

adrenoceptor alpha 1D

adrenoceptor alpha 1D

03

BCL2 apoptosis regulator

BCL2 apoptosis regulator

04

carbonic anhydrase 2

carbonic anhydrase 2

05

cyclin B1

cyclin B1

06

cyclin dependent kinase 1

cyclin dependent kinase 1

07

cyclin dependent kinase inhibitor 1A

cyclin dependent kinase inhibitor 1A

08

cholinergic receptor muscarinic 1

cholinergic receptor muscarinic 1