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Ingredients

(3as,6e,10z,11ar)-6-methyl-3-methylidene-10-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-2-one

C21H30O8

Entity Type
Ingredients
Relation Groups
2
Relation Preview
8

Basic Information

Grouped by core information, identifiers, and descriptions.

Core Information

Name
(3as,6e,10z,11ar)-6-methyl-3-methylidene-10-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[d]furan-2-one
Molecular Formula
C21H30O8
Molecular Weight
No data
Canonical SMILES
CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)COC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES
C/C/1=C\CC/C(=C/[C@@H]2[C@@H](CC1)C(=C)C(=O)O2)/CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C21H30O8/c1-11-4-3-5-13(8-15-14(7-6-11)12(2)20(26)28-15)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h4,8,14-19,21-25H,2-3,5-7,9-10H2,1H3/b11-4+,13-8-/t14-,15+,16+,17+,18-,19+,21+/m0/s1
Oral Bioavailability
12.106
Drug Likeness
0.297
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
菊苣
Ju Ju / Herba Cichorii; Herba Cichorii; Radix Cichorii
Ju JuHerba Cichorii; Herba Cichorii; Radix Cichorii