IngredientID 8729

8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide

C18H24O6

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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
8729
Core Entity Id
12871
Source Entity Count
1
Preferred Name
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Name En
Pubchem Id
Smiles Canonical
Molecular Formula
C18H24O6
Molecular Weight
336.1600
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
8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013603
Tcmid
251
Tcmbank
TCMBANKIN048614
Etcm Ingredient
8-Acetoxy-2-methoxy-10-hydroxy-3,11(13)-guaiadien-12,6-olide
Itcmdb Generated
ITX-INGREDIENT-C77EB52BAE91

Attributes

Merged source attributes and domain-specific metadata.

Mol2 Path
/TCM_database/2007_3d_all/00251.mol2
Reference
5455
Molecular Weight
336.160
Molecular Formula
C18H24O6
Molecular Formula
C18H24O6
Molecular Formula
C18H24O6
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness(Qed)
0.466