Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66366
- Core Entity Id
- 129015
- Source Entity Count
- 1
- Preferred Name
- 12-alpha-Hydroxyrotenone
- Name En
- Pubchem Id
- 68184
- Smiles Canonical
- CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC
- Molecular Formula
- C23H22O7
- Molecular Weight
- 410.1400
- Inchikey
- JFVKWCYZKMUTLH-AYPBNUJASA-N
- Inchi
- InChI=1S/C23H22O7/c1-11(2)16-7-13-15(29-16)6-5-12-21(13)30-20-10-28-17-9-19(27-4)18(26-3)8-14(17)23(20,25)22(12)24/h5-6,8-9,16,20,25H,1,7,10H2,2-4H3/t16-,20-,23-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.3000
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 83.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-alpha-Hydroxyrotenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12-alpha-Hydroxyrotenone
Itcmdb Generated
ITX-INGREDIENT-0F20E8BA6760
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
410.140
Molecular Formula
C23H22O7
Fda Maximum Daily Dose (Fdamdd)
0.877
Quantitative Estimate Of Drug Likeness（Qed）
0.779