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
- 72684
- Core Entity Id
- 135333
- Source Entity Count
- 1
- Preferred Name
- Ipuron
- Name En
- Pubchem Id
- 5487923
- Smiles Canonical
- COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=CC(=C4O2)O)O
- Molecular Formula
- C20H20O11
- Molecular Weight
- 436.1000
- Inchikey
- CYNUMZCJGCZYTD-DIKOWXHZSA-N
- Inchi
- InChI=1S/C20H20O11/c1-28-7-4-10-14(16(25)13-8(22)2-3-9(23)19(13)29-10)11(5-7)30-20-18(27)17(26)15(24)12(6-21)31-20/h2-5,12,15,17-18,20-24,26-27H,6H2,1H3/t12-,15-,17+,18-,20-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.6000
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 175.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ipuron
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Ipuron
Itcmdb Generated
ITX-INGREDIENT-D0245E871811
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
436.100
Molecular Formula
C20H20O11
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.230