Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9136
- Core Entity Id
- 13320
- Source Entity Count
- 1
- Preferred Name
- 9-cedranone
- Name En
- Pubchem Id
- 21723990
- Smiles Canonical
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3500
- Inchikey
- CHPQWDBBFXQHQC-JNOZFCTMSA-N
- Inchi
- InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10+,11+,13+,15-/m1/s1
- Isomeric Smiles
- Cas Id
- 13794-73-5
- Ob Score
- 67.6036
- Mol Logp
- 4.0000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Cedranone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
9-Cedranone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
9-Cedranone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-Cedranone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-cedranone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-cedranone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
9-cedranone
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Cas
13794-73-5
Herb
HBIN014077
Tcmsp
MOL003475MOL007527
Sym Map
SMIT05538
Tcmbank
TCMBANKIN021599
Etcm Ingredient
9-Cedranone
Itcmdb Generated
ITX-INGREDIENT-8FF8AC7FD396
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
13794-73-5
Version
v1,v2
Ob Score
67.60362767.6036274867.604
Suppress
0
Molecule Weight
220.39
Molecular Weight
220.180
Molecular Weight
220.35
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Fda Maximum Daily Dose (Fdamdd)
0.217
Quantitative Estimate Of Drug Likeness（Qed）
0.608