Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70881
- Core Entity Id
- 133530
- Source Entity Count
- 1
- Preferred Name
- Cimicifugic acid N
- Name En
- Pubchem Id
- 46210734
- Smiles Canonical
- COC1=C(C=C(C=C1)C=CC(=O)OC(C(=O)O)C(CC2=CC(=C(C=C2)O)O)(C(=O)O)O)OC
- Molecular Formula
- C22H22O11
- Molecular Weight
- 462.1200
- Inchikey
- YMPYAGUNPNITIL-SAEXZTQASA-N
- Inchi
- InChI=1S/C22H22O11/c1-31-16-7-4-12(10-17(16)32-2)5-8-18(25)33-19(20(26)27)22(30,21(28)29)11-13-3-6-14(23)15(24)9-13/h3-10,19,23-24,30H,11H2,1-2H3,(H,26,27)(H,28,29)/b8-5-/t19-,22-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.8000
- Num H Donors
- 5
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 180.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cimicifugic acid N
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Cimicifugic acid N
Itcmdb Generated
ITX-INGREDIENT-7262983852F2
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
462.120
Molecular Formula
C22H22O11
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.194