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
- 4377
- Core Entity Id
- 8053
- Source Entity Count
- 1
- Preferred Name
- 3-ethylidene cycloheptene
- Name En
- Pubchem Id
- 5368778
- Smiles Canonical
- CC=C1CCCCC=C1
- Molecular Formula
- C9H14
- Molecular Weight
- 122.2110
- Inchikey
- SYIBJHROSBOWGC-MBXJOHMKSA-N
- Inchi
- InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3/b9-2-
- Isomeric Smiles
- C/C=C/1\CCCCC=C1
- Cas Id
- Ob Score
- Mol Logp
- 3.0629
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-ethylidene cycloheptene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-ethylidene cycloheptene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-ethylidene cycloheptene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3E)-3-Ethylidene-1-cycloheptene #
Role
alias
Source
HERB_v2
Preferred
No
Name
(3E)-3-Ethylidene-1-cycloheptene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
SYIBJHROSBOWGC-MBXJOHMKSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SYIBJHROSBOWGC-MBXJOHMKSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E)-3-Ethylidene-1-cycloheptene #SYIBJHROSBOWGC-MBXJOHMKSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008531
Tcmid
34105
Pub Chem
5368778
Tcmbank
TCMBANKIN030136
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h2,5,7H,3-4,6,8H2,1H3/b9-2-
Mol Wt
122.211
Smiles
CC=C1CCCCC=C1
Mol Log P
3.062900000000002
In Ch Ikey
SYIBJHROSBOWGC-MBXJOHMKSA-N
Num Hdonors
0
Drug Likeness
0.463
Num Hacceptors
0
Isomeric Smiles
C/C=C/1\CCCCC=C1
Canonical Smiles
CC=C1CCCCC=C1
Herb Alias Names
SYIBJHROSBOWGC-MBXJOHMKSA-N(3E)-3-Ethylidene-1-cycloheptene #
Molecular Weight
122.21 g/mol
Molecular Formula
C9H14
Molecular Formula
C9H14
Num Rotatable Bonds
0