Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9754
- Core Entity Id
- 14010
- Source Entity Count
- 1
- Preferred Name
- Afzelin; 3'',4''-di-ac
- Name En
- Pubchem Id
- 10459196
- Smiles Canonical
- Molecular Formula
- C25H24O12
- Molecular Weight
- 516.4500
- Inchikey
- SXOZSDJHGMAEGZ-IGKKHSBFSA-N
- Inchi
- InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1
- Isomeric Smiles
- Cas Id
- 77307-50-7
- Ob Score
- Mol Logp
- 2.4000
- Num H Donors
- 4
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 178.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Afzelin; 3'',4''-di-ac
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Afzelin; 3'',4''-di-ac
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
afzelin; 3'',4''-di-ac
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
77307-50-7
Herb
HBIN014798
Tcm Id
7126
Tcmbank
TCMBANKIN012515
Attributes
Merged source attributes and domain-specific metadata.
Cas Id
77307-50-7
Molecular Weight
516.45
Molecular Formula
C25H24O12
Molecular Formula
C25H24O12