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Herb Integrative Database
Traditional Medicine Data Platform
Ingredients

Cyclanoline

C20H24NO4+

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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
Cyclanoline
Molecular Formula
C20H24NO4+
Molecular Weight
No data
Canonical SMILES
C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC
Isomeric SMILES
C[N@@+]12CCC3=CC(=C(C=C3[C@@H]1CC4=C(C2)C(=C(C=C4)OC)O)O)OC
InChI
InChI=1S/C20H23NO4/c1-21-7-6-13-9-19(25-3)17(22)10-14(13)16(21)8-12-4-5-18(24-2)20(23)15(12)11-21/h4-5,9-10,16H,6-8,11H2,1-3H3,(H-,22,23)/p+1/t16-,21-/m0/s1
Oral Bioavailability
2.639
Drug Likeness
0.824
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
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