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Ingredients

(1r,3ar,5r,5as,8ar,9s,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1h-azuleno[7,6-d]furan-2,8-dione

C15H22O4

Entity Type
Ingredients
Relation Groups
2
Relation Preview
4

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(1r,3ar,5r,5as,8ar,9s,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,6,7,9,9a-octahydro-1h-azuleno[7,6-d]furan-2,8-dione
Molecular Formula
C15H22O4
Molecular Weight
No data
Canonical SMILES
CC1CC2C(C(C(=O)O2)C)C(C3(C1CCC3=O)C)O
Isomeric SMILES
C[C@@H]1C[C@@H]2[C@@H]([C@H](C(=O)O2)C)[C@@H]([C@]3([C@H]1CCC3=O)C)O
InChI
InChI=1S/C15H22O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h7-10,12-13,17H,4-6H2,1-3H3/t7-,8-,9+,10-,12-,13+,15+/m1/s1
Oral Bioavailability
70.357
Drug Likeness
0.676
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 ingredient1 Herbs
01
鹅不食草
E Bu Shi Cao / Centipedae Herba; Herba Centipedae
E Bu Shi CaoCentipedae Herba; Herba Centipedae