Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 3Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12364
- Core Entity Id
- 16913
- Source Entity Count
- 1
- Preferred Name
- Beta-cyperone
- Name En
- Pubchem Id
- 10889388
- Smiles Canonical
- CC1=C2C=C(CCC2(CCC1=O)C)C(C)C
- Molecular Formula
- C15H22O
- Molecular Weight
- 218.3400
- Inchikey
- NUIFDRMJKLJEJE-HNNXBMFYSA-N
- Inchi
- InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1
- Isomeric Smiles
- CC1=C2C=C(CC[C@]2(CCC1=O)C)C(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0483
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-Cyperone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Beta-cyperone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Beta-cyperone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
beta-Cyperone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
beta-cyperone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
β-cyperone
Role
alias
Source
TCMBank
Preferred
No
Name
Eudesma-4,6-Dien-3-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Eudesma-4,6-dien-3-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
(4aR)-7-isopropyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
Eudesma-4,6-dien-3-one (.beta.-cyperone)
Role
alias
Source
HERB_v2
Preferred
No
Name
NUIFDRMJKLJEJE-OAHLLOKOSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
β-cyperoneEudesma-4,6-Dien-3-One(4aR)-1,4a-dimethyl-7-propan-2-yl-3,4,5,6-tetrahydronaphthalen-2-one(4aR)-7-isopropyl-1,4a-dimethyl-3,4,5,6-tetrahydronaphthalen-2-oneEudesma-4,6-dien-3-one (.beta.-cyperone)NUIFDRMJKLJEJE-OAHLLOKOSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018043HBIN026052
Npass
NPC205626NPC130439
Tcmid
248954580
Tcmsp
MOL004036
Sym Map
SMIT02336SMIT14878SMIT06021
Tcm Id
6300
Pub Chem
108893886428385
Tcmbank
TCMBANKIN037974TCMBANKIN003124
Etcm Ingredient
beta-Cyperone
Itcmdb Generated
ITX-INGREDIENT-9740CDB9791E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H22O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h9-10H,5-8H2,1-4H3/t15-/m0/s1
Mol Wt
218.34
Smiles
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C
Mol Log P
4.048300000000003
Version
v1,v2
In Ch Ikey
NUIFDRMJKLJEJE-HNNXBMFYSA-N
Suppress
0
Reference
6
Num Hdonors
0
Drug Likeness
0.649
Num Hacceptors
1
Isomeric Smiles
CC1=C2C=C(CC[C@]2(CCC1=O)C)C(C)C
Molecule Weight
218.37
Canonical Smiles
CC1=C2C=C(CCC2(CCC1=O)C)C(C)C
Molecular Weight
218.170
Molecular Weight
218.33 g/mol
Molecule Formula
C15H22O
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Molecular Formula
C15H22O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.282
Quantitative Estimate Of Drug Likeness（Qed）
0.599