Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1895
- Core Entity Id
- 5294
- Source Entity Count
- 1
- Preferred Name
- 2-hepten-4-ol
- Name En
- Pubchem Id
- 5366235
- Smiles Canonical
- CCCC(C=CC)O
- Molecular Formula
- C7H14O
- Molecular Weight
- 114.1880
- Inchikey
- DODCYMXUZOEOQF-HWKANZROSA-N
- Inchi
- InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+
- Isomeric Smiles
- CCCC(/C=C/C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7235
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hepten-4-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hepten-4-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-hepten-4-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E)-2-Hepten-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E)-2-Hepten-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-hept-2-en-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-hept-2-en-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hepten-4-ol, (E)+(Z)
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hepten-4-ol, (E)+(Z)
Role
alias
Source
itcmdb_public
Preferred
No
Name
4798-59-8
Role
alias
Source
HERB_v2
Preferred
No
Name
4798-59-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006227992
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006227992
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00021932
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00021932
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3418051
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3418051
Role
alias
Source
itcmdb_public
Preferred
No
Name
hept-2-en-4-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
hept-2-en-4-ol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E)-2-Hepten-4-ol(E)-hept-2-en-4-ol2-Hepten-4-ol, (E)+(Z)4798-59-8AKOS006227992MFCD00021932SCHEMBL3418051hept-2-en-4-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005664
Npass
NPC164135
Tcmid
33291
Pub Chem
5366235
Tcmbank
TCMBANKIN029479
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3,5,7-8H,4,6H2,1-2H3/b5-3+
Mol Wt
114.188
Smiles
CCCC(C=CC)O
Mol Log P
1.7235
In Ch Ikey
DODCYMXUZOEOQF-HWKANZROSA-N
Num Hdonors
1
Drug Likeness
0.554
Num Hacceptors
1
Isomeric Smiles
CCCC(/C=C/C)O
Canonical Smiles
CCCC(C=CC)O
Herb Alias Names
4798-59-8hept-2-en-4-ol(E)-hept-2-en-4-ol(2E)-2-Hepten-4-olMFCD00021932(2E)-2-Hepten-4-ol #SCHEMBL34180512-Hepten-4-ol, (E)+(Z)AKOS006227992
Molecular Weight
114.19 g/mol
Molecular Formula
C7H14O
Molecular Formula
C7H14O
Num Rotatable Bonds
3