IngredientID 8589
(-)-(7r,7' r,7″r,8s,8' s,8″s)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
C31H36O11
Relationship Network
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Herb: 2Ingredient: 1Target: 3Links: 8
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8589
- Core Entity Id
- 12717
- Source Entity Count
- 1
- Preferred Name
- (-)-(7r,7' r,7″r,8s,8' s,8″s)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C31H36O11
- Molecular Weight
- 584.2300
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
"(-)-(7R,7'R,7""R,8S,8'S,8""S)-4',4""-dihydroxy3,3',3"",5-tetramethoxy-7,9':7',9-diepoxy-4,8""-oxy-8,8'-sesquineolignan-7"",9""-diol"
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(- )-(7R,7' R,7″R,8S,8' S,8″S)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-(7r,7' r,7″r,8s,8' s,8″s)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(-)-(7r,7' r,7″r,8s,8' s,8″s)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
"(-)-(7R,7'R,7""R,8S,8'S,8""S)-4',4""-dihydroxy3,3',3"",5-tetramethoxy-7,9':7',9-diepoxy-4,8""-oxy-8,8'-sesquineolignan-7"",9""-diol"(- )-(7R,7' R,7″R,8S,8' S,8″S)-4',4″-dihydroxy-3,3',3″,5-tetramethoxy-7,9' ∶ 7',9-diepoxy-4,8″-oxy-8,8'-sesquineolignan-7″,9″-diol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013453
Tcmid
42738
Tcmbank
TCMBANKIN007036
Etcm Ingredient
"(-)-(7R,7'R,7""R,8S,8'S,8""S)-4',4""-dihydroxy3,3',3"",5-tetramethoxy-7,9':7',9-diepoxy-4,8""-oxy-8,8'-sesquineolignan-7"",9""-diol"
Itcmdb Generated
ITX-INGREDIENT-34FEDE6DD22C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
584.230
Molecular Formula
C31H36O11
Fda Maximum Daily Dose (Fdamdd)
0.629
Quantitative Estimate Of Drug Likeness（Qed）
0.262