Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 6Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72617
- Core Entity Id
- 135266
- Source Entity Count
- 1
- Preferred Name
- Icaritin
- Name En
- Pubchem Id
- 5318980
- Smiles Canonical
- CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C
- Molecular Formula
- C21H20O6
- Molecular Weight
- 368.1300
- Inchikey
- TUUXBSASAQJECY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.8000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icaritin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Icaritin
Itcmdb Generated
ITX-INGREDIENT-D4F9DADD8257
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
368.130
Molecular Formula
C21H20O6
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.600