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
- 17890
- Core Entity Id
- 23058
- Source Entity Count
- 1
- Preferred Name
- (e)-dodec-5-enal
- Name En
- Pubchem Id
- 5362688
- Smiles Canonical
- CCCCCCC=CCCCC=O
- Molecular Formula
- C12H22O
- Molecular Weight
- 182.3070
- Inchikey
- MXYKXSMSECVABY-BQYQJAHWSA-N
- Inchi
- InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+
- Isomeric Smiles
- CCCCCC/C=C/CCCC=O
- Cas Id
- Ob Score
- 40.5470
- Mol Logp
- 3.8822
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-Dodec-5-Enal
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-Dodec-5-Enal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-dodec-5-enal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-dodec-5-enal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(e)-dodec-5-enal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(e)-dodec-5-enal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(5E)-5-Dodecenal
Role
alias
Source
TCMBank
Preferred
No
Name
(5E)-Dodecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(5E)-Dodecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-5-Dodecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-5-Dodecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Dodecenal, (5E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Dodecenal, (5E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Dodecenal, E
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Dodecenal, E
Role
alias
Source
itcmdb_public
Preferred
No
Name
68820-34-8
Role
alias
Source
HERB_v2
Preferred
No
Name
68820-34-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
9705CNN8XC
Role
alias
Source
HERB_v2
Preferred
No
Name
9705CNN8XC
Role
alias
Source
itcmdb_public
Preferred
No
Name
Fema No. 4885
Role
alias
Source
HERB_v2
Preferred
No
Name
Fema No. 4885
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-9705CNN8XC
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-9705CNN8XC
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-5-Dodecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-5-Dodecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-Dodec-5-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-Dodec-5-enal
Role
alias
Source
TCMBank
Preferred
No
Name
trans-Dodec-5-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
5Z-Dodecenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5z-dodecenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(5Z)-5-Dodecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(z)-5-dodecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Dodecenal, (5Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-dodecenal, Z
Role
alias
Source
itcmdb_public
Preferred
No
Name
68820-33-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
LL7AGG941X
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-LL7AGG941X
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Dodec-5-enal
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(5E)-5-Dodecenal(5E)-Dodecenal(E)-5-Dodecenal5-Dodecenal, (5E)-5-Dodecenal, E68820-34-89705CNN8XCFema No. 4885UNII-9705CNN8XCtrans-5-Dodecenaltrans-Dodec-5-enal5Z-Dodecenal(5Z)-5-Dodecenal(z)-5-dodecenal5-Dodecenal, (5Z)-5-dodecenal, Z68820-33-7LL7AGG941XUNII-LL7AGG941Xcis-Dodec-5-enal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024855HBIN011964
Npass
NPC138144
Tcmid
36242
Tcmsp
MOL003488
Sym Map
SMIT05549SMIT21776
Pub Chem
53626885362687
Tcmbank
TCMBANKIN023825TCMBANKIN007033
Etcm Ingredient
(E)-dodec-5-enal
Itcmdb Generated
ITX-INGREDIENT-98E88C220E86ITX-INGREDIENT-95674B71049D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h7-8,12H,2-6,9-11H2,1H3/b8-7+
Mol Wt
182.307
Smiles
CCCCCCC=CCCCC=O
Mol Log P
3.882200000000003
Version
v1,v2
In Ch Ikey
MXYKXSMSECVABY-BQYQJAHWSA-N
Ob Score
40.54740.5471188540.547119
Suppress
0
Num Hdonors
0
Drug Likeness
0.3
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C/CCCC=O
Molecule Weight
182.34
Canonical Smiles
CCCCCCC=CCCCC=O
Herb Alias Names
trans-Dodec-5-enaltrans-5-Dodecenal(5E)-Dodecenal5-Dodecenal, (5E)-Fema No. 48859705CNN8XCUNII-9705CNN8XC68820-34-8(E)-5-Dodecenal5-Dodecenal, E
Molecular Weight
182.170
Molecular Weight
182.3 g/mol
Molecular Formula
C12H22O
Molecular Formula
C12H22O
Molecular Formula
C12H22O
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.026
Quantitative Estimate Of Drug Likeness（Qed）
0.300