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
- 10360
- Core Entity Id
- 14677
- Source Entity Count
- 1
- Preferred Name
- Alpha-humulen
- Name En
- Pubchem Id
- 24798693
- Smiles Canonical
- CC1=CCC(C=CCC(=CCC1)C)(C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- FAMPSKZZVDUYOS-HYXCZMNISA-N
- Inchi
- InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10+
- Isomeric Smiles
- C/C/1=C\CC(/C=C\C/C(=C\CC1)/C)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0354
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alpha-humulen
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha-humulen
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:49311
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:49311
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27121615
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27121615
Role
alias
Source
itcmdb_public
Preferred
No
Name
humula-1(11),4,8-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
humula-1(11),4,8-triene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-trieneCHEBI:49311Q27121615humula-1(11),4,8-triene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015546
Tcmid
35309
Pub Chem
24798693
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6-,13-7-,14-10+
Mol Wt
204.357
Mol Log P
5.035400000000005
In Ch Ikey
FAMPSKZZVDUYOS-HYXCZMNISA-N
Num Hdonors
0
Drug Likeness
0.485
Num Hacceptors
0
Isomeric Smiles
C/C/1=C\CC(/C=C\C/C(=C\CC1)/C)(C)C
Canonical Smiles
CC1=CCC(C=CCC(=CCC1)C)(C)C
Herb Alias Names
humula-1(11),4,8-trieneCHEBI:49311Q27121615(1Z,4Z,8E)-2,6,6,9-tetramethylcycloundeca-1,4,8-triene
Molecular Formula
C15H24
Num Rotatable Bonds
0