IngredientID 52634
4α,10α-Dihydroxy-3-oxo-8β-isobutyryloxyguaia-11(13)-en-12,6α-olide
C19H26O7
Relationship Network
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52634
- Core Entity Id
- 95645
- Source Entity Count
- 1
- Preferred Name
- 4α,10α-Dihydroxy-3-oxo-8β-isobutyryloxyguaia-11(13)-en-12,6α-olide
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C19H26O7
- Molecular Weight
- 366.1700
- 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
4α,10α-Dihydroxy-3-oxo-8β-isobutyryloxyguaia-11(13)-en-12,6α-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4α,10α-Dihydroxy-3-oxo-8β-isobutyryloxyguaia-11(13)-en-12,6α-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
肿柄菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHONG BIN JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Yucatan Tithonia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
肿柄菊ZHONG BIN JUYucatan Tithonia
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN047064
Etcm Ingredient
4α,10α-Dihydroxy-3-oxo-8β-isobutyryloxyguaia-11(13)-en-12,6α-olide
Itcmdb Generated
ITX-INGREDIENT-D368E20CD896
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name
肿柄菊
Tcm Name2
ZHONG BIN JU
Mol2 Path
/TCM_database/2007_3d_all/06064.mol2
Reference
4622
Tcm Name En
Yucatan Tithonia
Molecular Weight
366.170
Molecular Formula
C19H26O7
Fda Maximum Daily Dose (Fdamdd)
0.040
Quantitative Estimate Of Drug Likeness（Qed）
0.548