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
- 11113
- Core Entity Id
- 15517
- Source Entity Count
- 1
- Preferred Name
- Apigenin-7-o-beta-d-pyranglycuronate butyl ester
- Name En
- Pubchem Id
- 5319489
- Smiles Canonical
- CCCCOC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O
- Molecular Formula
- C25H26O11
- Molecular Weight
- 502.5000
- Inchikey
- ZLDBWIBQNJCHKH-LYVDORBWSA-N
- Inchi
- InChI=1S/C25H26O11/c1-2-3-8-33-24(32)23-21(30)20(29)22(31)25(36-23)34-14-9-15(27)19-16(28)11-17(35-18(19)10-14)12-4-6-13(26)7-5-12/h4-7,9-11,20-23,25-27,29-31H,2-3,8H2,1H3/t20-,21-,22+,23-,25+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 172.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Apigenin-7-o-beta-d-pyranglycuronate butyl ester
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Apigenin-7-o-beta-d-pyranglycuronate butyl ester
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016464
Tcmid
35748