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
- 952
- Core Entity Id
- 4252
- Source Entity Count
- 1
- Preferred Name
- 2,4-undecadien-1-ol
- Name En
- Pubchem Id
- 5362760
- Smiles Canonical
- CCCCCCC=CC=CCO
- Molecular Formula
- C11H20O
- Molecular Weight
- 168.2800
- Inchikey
- FVKXLSPKNRZPJK-XBLVEGMJSA-N
- Inchi
- InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-10,12H,2-6,11H2,1H3/b8-7+,10-9+
- Isomeric Smiles
- CCCCCC/C=C/C=C/CO
- Cas Id
- Ob Score
- Mol Logp
- 3.0615
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,4-Undecadien-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,4-undecadien-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,4-undecadien-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2E,4E)-2,4-Undecadien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-2,4-Undecadien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-Undeca-2,4-dienol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-Undeca-2,4-dienol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,4E)-undeca-2,4-dien-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2E,4E)-undeca-2,4-dien-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Undecaden-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,4-Undecaden-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Undecadienol
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-Undecadienol
Role
alias
Source
itcmdb_public
Preferred
No
Name
59376-58-8
Role
alias
Source
HERB_v2
Preferred
No
Name
59376-58-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
94087-86-2
Role
alias
Source
HERB_v2
Preferred
No
Name
94087-86-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 301-981-0
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 301-981-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00014053
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00014053
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,4E)-2,4-Undecadien-1-ol(2E,4E)-Undeca-2,4-dienol(2E,4E)-undeca-2,4-dien-1-ol2,4-Undecaden-1-ol2,4-Undecadienol59376-58-894087-86-2EINECS 301-981-0MFCD00014053
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004552
Tcmid
42748
Pub Chem
5362760
Tcmbank
TCMBANKIN013924
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-10,12H,2-6,11H2,1H3/b8-7+,10-9+
Mol Wt
168.28
Smiles
CCCCCCC=CC=CCO
Mol Log P
3.061500000000002
In Ch Ikey
FVKXLSPKNRZPJK-XBLVEGMJSA-N
Num Hdonors
1
Drug Likeness
0.457
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C/C=C/CO
Canonical Smiles
CCCCCCC=CC=CCO
Herb Alias Names
59376-58-82,4-Undecadienol(2E,4E)-undeca-2,4-dien-1-ol94087-86-2(2E,4E)-Undeca-2,4-dienol2,4-Undecaden-1-olEINECS 301-981-0(2E,4E)-2,4-Undecadien-1-olMFCD00014053
Molecular Weight
168.28 g/mol
Molecular Formula
C11H20O
Molecular Formula
C11H20O
Num Rotatable Bonds
7