Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69437
- Core Entity Id
- 132086
- Source Entity Count
- 1
- Preferred Name
- 7-oxo-15-hydroxydehydroabietic acid
- Name En
- Pubchem Id
- 14017925
- Smiles Canonical
- CC12CCCC(C1CC(=O)C3=C2C=CC(=C3)C(C)(C)O)(C)C(=O)O
- Molecular Formula
- C20H26O4
- Molecular Weight
- 330.1800
- Inchikey
- MXPXAZNVQUWDFH-NSISKUIASA-N
- Inchi
- InChI=1S/C20H26O4/c1-18(2,24)12-6-7-14-13(10-12)15(21)11-16-19(14,3)8-5-9-20(16,4)17(22)23/h6-7,10,16,24H,5,8-9,11H2,1-4H3,(H,22,23)/t16-,19-,20-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 74.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-oxo-15-hydroxydehydroabietic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
7-oxo-15-hydroxydehydroabietic acid
Itcmdb Generated
ITX-INGREDIENT-ABB44448C9FC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
330.180
Molecular Formula
C20H26O4
Fda Maximum Daily Dose (Fdamdd)
0.083
Quantitative Estimate Of Drug Likeness（Qed）
0.868