01
丝瓜子
Si Gua Zi / Semen Luffae Cylindricae; Semen Luffae Acutangulae
Si Gua ZiSemen Luffae Cylindricae; Semen Luffae Acutangulae
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 12
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Meldenin
- Molecular Formula
- C28H38O5
- Molecular Weight
- No data
- Canonical SMILES
- CC(=O)OC1C2C(C(=O)CCC2(C3CCC4(C(CC=C4C3(C1O)C)C5=COC=C5)C)C)(C)C
- Isomeric SMILES
- CC(=O)O[C@@H]1[C@@H]2[C@](CCC(=O)C2(C)C)([C@H]3CC[C@]4([C@@H](CC=C4C3([C@@H]1O)C)C5=COC=C5)C)C
- InChI
- InChI=1S/C28H38O5/c1-16(29)33-22-23-25(2,3)21(30)10-13-27(23,5)20-9-12-26(4)18(17-11-14-32-15-17)7-8-19(26)28(20,6)24(22)31/h8,11,14-15,18,20,22-24,31H,7,9-10,12-13H2,1-6H3/t18-,20+,22+,23-,24+,26-,27+,28?/m0/s1
- Oral Bioavailability
- 15.960
- Drug Likeness
- 0.476
- 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 ingredient7 Herbs
02
王不留行
Wang Bu Liu Xing / Semen Vaccariae; Vaccariae Semen
Wang Bu Liu XingSemen Vaccariae; Vaccariae Semen
03
04
05
06
07