Skip to main content
Ingredients

(3s,3's,8s,9r,9ar)-8-methoxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one

C19H29NO5

Entity Type
Ingredients
Relation Groups
2
Relation Preview
7

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3s,3's,8s,9r,9ar)-8-methoxy-3'-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,5,6,7,8,9a-octahydropyrrolo[1,2-a]azepine-9,5'-oxolane]-2'-one
Molecular Formula
C19H29NO5
Molecular Weight
No data
Canonical SMILES
CC1CC(OC1=O)C2CCC3N2CCCC(C34CC(C(=O)O4)C)OC
Isomeric SMILES
C[C@H]1C[C@H](OC1=O)[C@@H]2CC[C@H]3N2CCC[C@@H]([C@@]34C[C@@H](C(=O)O4)C)OC
InChI
InChI=1S/C19H29NO5/c1-11-9-14(24-17(11)21)13-6-7-15-19(10-12(2)18(22)25-19)16(23-3)5-4-8-20(13)15/h11-16H,4-10H2,1-3H3/t11-,12-,13-,14-,15+,16-,19+/m0/s1
Oral Bioavailability
13.145
Drug Likeness
0.708
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

Direct relations and traceable candidates grouped by relation type.

Source Herbs

herb ingredient5 Herbs
03
白前
Bai Qian / Rhizoma et Radix Cynanchi Stauntonii; Cynanchi Stauntonii Rhizoma et Radix
Bai QianRhizoma et Radix Cynanchi Stauntonii; Cynanchi Stauntonii Rhizoma et Radix
04
白术
Bai Zhu / Rhizoma Atractylodis Macrocephalae; Atractylodis Macrocephalae Rhizoma
Bai ZhuRhizoma Atractylodis Macrocephalae; Atractylodis Macrocephalae Rhizoma
05
百部
Bai Bu / Radix Stemonae; Stemonae Radix
Bai BuRadix Stemonae; Stemonae Radix