Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70494
- Core Entity Id
- 133143
- Source Entity Count
- 1
- Preferred Name
- bursehernin
- Name En
- Pubchem Id
- 94504
- Smiles Canonical
- COC1=C(C=C(C=C1)CC2C(COC2=O)CC3=CC4=C(C=C3)OCO4)OC
- Molecular Formula
- C21H22O6
- Molecular Weight
- 370.1400
- Inchikey
- IYBDDRJHJMFFBB-JKSUJKDBSA-N
- Inchi
- InChI=1S/C21H22O6/c1-23-17-5-3-14(9-19(17)24-2)8-16-15(11-25-21(16)22)7-13-4-6-18-20(10-13)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.8000
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 63.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
bursehernin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
bursehernin
Itcmdb Generated
ITX-INGREDIENT-AA8E9ADB161D
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
370.140
Molecular Formula
C21H22O6
Fda Maximum Daily Dose (Fdamdd)
0.654
Quantitative Estimate Of Drug Likeness（Qed）
0.729