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
- 68271
- Core Entity Id
- 130920
- Source Entity Count
- 1
- Preferred Name
- 3-oxoanticopalic acid
- Name En
- Pubchem Id
- 13858184
- Smiles Canonical
- CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(=O)C2(C)C)C
- Molecular Formula
- C20H30O3
- Molecular Weight
- 318.2200
- Inchikey
- HZIPQMQRBXJVNO-KSVKHWKZSA-N
- Inchi
- InChI=1S/C20H30O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-16H,2,6-11H2,1,3-5H3,(H,22,23)/b13-12+/t15-,16-,20+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.4000
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 54.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-oxoanticopalic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
3-oxoanticopalic acid
Itcmdb Generated
ITX-INGREDIENT-A154F8648BB4
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
318.220
Molecular Formula
C20H30O3
Fda Maximum Daily Dose (Fdamdd)
0.955
Quantitative Estimate Of Drug Likeness（Qed）
0.759