Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 7Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38562
- Core Entity Id
- 65878
- Source Entity Count
- 1
- Preferred Name
- 1,4-heptadiene
- Name En
- Pubchem Id
- 5367564
- Smiles Canonical
- CCC=CCC=C
- Molecular Formula
- C7H12
- Molecular Weight
- 96.1730
- Inchikey
- FMAMSYPJXSEYSW-VOTSOKGWSA-N
- Inchi
- InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3/b7-6+
- Isomeric Smiles
- CC/C=C/CC=C
- Cas Id
- Ob Score
- Mol Logp
- 2.5287
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4-heptadiene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-heptadiene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,4-heptadiene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4E)-1,4-Heptadiene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4E)-1,4-Heptadiene #
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Heptadiene, E
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Heptadiene, E
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Heptadiene, trans
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Heptadiene, trans
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006275409
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006275409
Role
alias
Source
itcmdb_public
Preferred
No
Name
FMAMSYPJXSEYSW-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
FMAMSYPJXSEYSW-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
FMAMSYPJXSEYSW-VOTSOKGWSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
FMAMSYPJXSEYSW-VOTSOKGWSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
hepta-1,4-diene
Role
alias
Source
itcmdb_public
Preferred
No
Name
hepta-1,4-diene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4E)-1,4-Heptadiene(4E)-1,4-Heptadiene #1,4-Heptadiene, E1,4-Heptadiene, transAKOS006275409FMAMSYPJXSEYSW-UHFFFAOYSA-NFMAMSYPJXSEYSW-VOTSOKGWSA-Nhepta-1,4-diene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001460
Tcmid
41633
Pub Chem
5367564
Tcmbank
TCMBANKIN003739
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3/b7-6+
Mol Wt
96.173
Smiles
CCC=CCC=C
Mol Log P
2.528700000000001
In Ch Ikey
FMAMSYPJXSEYSW-VOTSOKGWSA-N
Num Hdonors
0
Drug Likeness
0.473
Num Hacceptors
0
Isomeric Smiles
CC/C=C/CC=C
Canonical Smiles
CCC=CCC=C
Herb Alias Names
(4E)-1,4-Heptadiene #hepta-1,4-diene1,4-Heptadiene, E1,4-Heptadiene, trans(4E)-1,4-HeptadieneFMAMSYPJXSEYSW-UHFFFAOYSA-NFMAMSYPJXSEYSW-VOTSOKGWSA-NAKOS006275409
Molecular Weight
96.17 g/mol
Molecular Formula
C7H12
Molecular Formula
C7H12
Num Rotatable Bonds
3