01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 8
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Calycanthine
- Molecular Formula
- C22H26N4
- Molecular Weight
- No data
- Canonical SMILES
- CN1CCC23C4NC5=CC=CC=C5C2(C1NC6=CC=CC=C36)CCN4C
- Isomeric SMILES
- CN1CC[C@@]23[C@@H]4NC5=CC=CC=C5[C@@]2([C@@H]1NC6=CC=CC=C36)CCN4C
- InChI
- InChI=1S/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.768
- 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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Direct relations and traceable candidates grouped by relation type.
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