Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66450
- Core Entity Id
- 129099
- Source Entity Count
- 1
- Preferred Name
- 14-epi-andrographolide
- Name En
- Pubchem Id
- 11869597
- Smiles Canonical
- CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O
- Molecular Formula
- C20H30O5
- Molecular Weight
- 350.2100
- Inchikey
- BOJKULTULYSRAS-NPWGMBKGSA-N
- Inchi
- InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15+,16+,17-,19+,20+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 87.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-epi-andrographolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
14-epi-andrographolide
Itcmdb Generated
ITX-INGREDIENT-888319B8854F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
350.210
Molecular Formula
C20H30O5
Fda Maximum Daily Dose (Fdamdd)
0.968
Quantitative Estimate Of Drug Likeness（Qed）
0.411