01
侧柏叶
Ce Bai Ye / Platycladi Cacumen; Cacumen Platycladi
Ce Bai YePlatycladi Cacumen; Cacumen Platycladi
Ingredients
(5ar,8as,9r)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
C22H22O7
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 9
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- (5ar,8as,9r)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-8-one
- Molecular Formula
- C22H22O7
- Molecular Weight
- No data
- Canonical SMILES
- COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O
- Isomeric SMILES
- COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@@H](CC4=CC5=C(C=C24)OCO5)COC3=O
- InChI
- InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20+/m0/s1
- Oral Bioavailability
- 52.700
- Drug Likeness
- 0.733
- 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 ingredient1 Herbs