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
- 33348
- Core Entity Id
- 40258
- Source Entity Count
- 1
- Preferred Name
- Silphinene
- Name En
- Pubchem Id
- 13919649
- Smiles Canonical
- CC1CCC2C13C=CCC3(CC2(C)C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- VHIAMHVUKUKCHP-DHMWGJHJSA-N
- Inchi
- InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
- Isomeric Smiles
- C[C@@H]1CC[C@@H]2[C@]13C=CC[C@]3(CC2(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.4150
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5130
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Silphinene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Silphinene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Silphinene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
silphinene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
CHEBI:229523
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:229523
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q67880094
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q67880094
Role
alias
Source
HERB_v2
Preferred
No
Name
Silphin-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Silphin-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
VHIAMHVUKUKCHP-DHMWGJHJSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
VHIAMHVUKUKCHP-DHMWGJHJSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEBI:229523Q67880094Silphin-1-eneVHIAMHVUKUKCHP-DHMWGJHJSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044032
Npass
NPC178644
Tcmid
19878
Pub Chem
1391964944567200
Tcmbank
TCMBANKIN047116
Etcm Ingredient
Silphinene
Itcmdb Generated
ITX-INGREDIENT-60DE0B20BFBD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24/c1-11-6-7-12-13(2,3)10-14(4)8-5-9-15(11,12)14/h5,9,11-12H,6-8,10H2,1-4H3/t11-,12+,14+,15+/m1/s1
Mol Wt
204.3569999999999
Smiles
CC1CCC2C13C=CCC3(CC2(C)C)C
Mol Log P
4.415000000000004
In Ch Ikey
VHIAMHVUKUKCHP-DHMWGJHJSA-N
Mol2 Path
/TCM_database/2007_3d_all/19894.mol2
Reference
4985
Num Hdonors
0
Drug Likeness
0.513
Num Hacceptors
0
Isomeric Smiles
C[C@@H]1CC[C@@H]2[C@]13C=CC[C@]3(CC2(C)C)C
Canonical Smiles
CC1CCC2C13C=CCC3(CC2(C)C)C
Herb Alias Names
Silphin-1-eneCHEBI:229523VHIAMHVUKUKCHP-DHMWGJHJSA-NQ67880094
Molecular Weight
204.190
Molecular Weight
204.35 g/mol
Molecular Formula
C15H24
Molecular Formula
C15H24
Molecular Formula
C15H24
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.521
Quantitative Estimate Of Drug Likeness（Qed）
0.513