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Ingredients

(2s)-1-[[(3r,3as,6ar,9ar,9bs)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-3-yl]methyl]proline

C20H27NO4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(2s)-1-[[(3r,3as,6ar,9ar,9bs)-2-keto-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-3-yl]methyl]proline
Molecular Formula
C20H27NO4
Molecular Weight
No data
Canonical SMILES
C=C1CCC2C(C(=O)OC2C3C1CCC3=C)CN4CCCC4C(=O)O
Isomeric SMILES
C=C1CC[C@H]2[C@@H](C(=O)O[C@@H]2[C@@H]3[C@H]1CCC3=C)CN4CCC[C@H]4C(=O)O
InChI
InChI=1S/C20H27NO4/c1-11-5-8-14-15(10-21-9-3-4-16(21)19(22)23)20(24)25-18(14)17-12(2)6-7-13(11)17/h13-18H,1-10H2,(H,22,23)/t13-,14-,15-,16-,17-,18-/m0/s1
Oral Bioavailability
20.903
Drug Likeness
0.629
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 ingredient2 Herbs
01
木香
Mu Xiang / Radix Aucklandiae; Aucklandiae Radix
Mu XiangRadix Aucklandiae; Aucklandiae Radix
02
连钱草
Lian Qian Cao / Glechomae Herba; Herba Glechomae
Lian Qian CaoGlechomae Herba; Herba Glechomae