Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12412
- Core Entity Id
- 16966
- Source Entity Count
- 1
- Preferred Name
- Beta-famesene
- Name En
- Pubchem Id
- 6429972
- Smiles Canonical
- CC(=CC=CC(=CCCC(=C)C=C)C)C
- Molecular Formula
- C15H22
- Molecular Weight
- 202.3410
- Inchikey
- CGBUBCVUNBWRCL-XHDUDTNGSA-N
- Inchi
- InChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-7,9,11-12H,1,4,8,10H2,2-3,5H3/b11-7-,15-12+
- Isomeric Smiles
- CC(=C/C=C\C(=C\CCC(=C)C=C)\C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.9775
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.5330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-famesene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-famesene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.beta.-fanesene
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-fanesene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
.beta.-fanesene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018114
Tcmid
334303796440070
Pub Chem
6429972
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6-7,9,11-12H,1,4,8,10H2,2-3,5H3/b11-7-,15-12+
Mol Wt
202.341
Mol Log P
4.977500000000004
In Ch Ikey
CGBUBCVUNBWRCL-XHDUDTNGSA-N
Num Hdonors
0
Drug Likeness
0.533
Num Hacceptors
0
Isomeric Smiles
CC(=C/C=C\C(=C\CCC(=C)C=C)\C)C
Canonical Smiles
CC(=CC=CC(=CCCC(=C)C=C)C)C
Herb Alias Names
.beta.-fanesene
Molecular Formula
C15H22
Num Rotatable Bonds
6