01
关黄柏
Guan Huang Bo / Phellodendri Amurensis Cortex; Cortex Phellodendri Amurensis
Guan Huang BoPhellodendri Amurensis Cortex; Cortex Phellodendri Amurensis
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 16
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Obacunone
- Molecular Formula
- C26H30O7
- Molecular Weight
- No data
- Canonical SMILES
- CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C
- Isomeric SMILES
- C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)[C@]3([C@@]15[C@H](O5)C(=O)O[C@H]2C6=COC=C6)C)(C)C)C
- InChI
- InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3/t15-,16+,19+,20-,23-,24+,25+,26-/m1/s1
- Oral Bioavailability
- 81.579
- Drug Likeness
- 0.469
- 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
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient8 Herbs
02
03
枳实
Zhi Shi / Fructus Aurantii Immaturus; Aurantii Fructus Immaturus
Zhi ShiFructus Aurantii Immaturus; Aurantii Fructus Immaturus
04
05
橘红
Ju Hong / Exocarpium Citri Rubrum; Citri Exocarpium Rubrum
Ju HongExocarpium Citri Rubrum; Citri Exocarpium Rubrum
06
07
贯叶金丝桃
Guan Ye Jin Si Tao / Herba Hyperici Perforati; Hyperici Perforati Herba
Guan Ye Jin Si TaoHerba Hyperici Perforati; Hyperici Perforati Herba
08
陈皮
Chen Pi / Citri Reticulatae Pericarpium; Pericarpium Citri Reticulatae
Chen PiCitri Reticulatae Pericarpium; Pericarpium Citri Reticulatae