Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69700
- Core Entity Id
- 132349
- Source Entity Count
- 1
- Preferred Name
- abieta-8,11,13,15-tetraen-18-oic acid
- Name En
- Pubchem Id
- 15929992
- Smiles Canonical
- CC(=C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C
- Molecular Formula
- C20H26O2
- Molecular Weight
- 298.1900
- Inchikey
- NGBRPGLXCQJIPU-MISYRCLQSA-N
- Inchi
- InChI=1S/C20H26O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12,17H,1,5,7,9-11H2,2-4H3,(H,21,22)/t17-,19-,20-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
abieta-8,11,13,15-tetraen-18-oic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
abieta-8,11,13,15-tetraen-18-oic acid
Itcmdb Generated
ITX-INGREDIENT-F738602DF884
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
298.190
Molecular Formula
C20H26O2
Fda Maximum Daily Dose (Fdamdd)
0.378
Quantitative Estimate Of Drug Likeness（Qed）
0.850