IngredientID 5250
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane
C23H30O7
Relationship Network
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Herb: 2Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5250
- Core Entity Id
- 9023
- Source Entity Count
- 1
- Preferred Name
- (3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C23H30O7
- Molecular Weight
- 418.2000
- 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
(3R,5S)-3-Acetoxy-5-Hydroxy-1,7-Bis(4-Hy-Droxy-3-Methoxyphenyl)Heptane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hy-droxy-3-methoxyphenyl)heptane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009555
Tcmid
210
Sym Map
SMIT14122
Tcmbank
TCMBANKIN006689
Etcm Ingredient
(3r,5s)-3-acetoxy-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
Itcmdb Generated
ITX-INGREDIENT-C359890DF7CC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Molecular Weight
418.200
Molecule Formula
C23H30O7
Molecular Formula
C23H30O7
Molecular Formula
C23H30O7
Molecular Formula
C23H30O7
Fda Maximum Daily Dose (Fdamdd)
0.972
Quantitative Estimate Of Drug Likeness（Qed）
0.481