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
- 37117
- Core Entity Id
- 44460
- Source Entity Count
- 1
- Preferred Name
- (z)-7-hexadecenal
- Name En
- Pubchem Id
- 5364438
- Smiles Canonical
- CCCCCCCCC=CCCCCCC=O
- Molecular Formula
- C16H30O
- Molecular Weight
- 238.4150
- Inchikey
- BLJFSPZWKBTYHR-KTKRTIGZSA-N
- Inchi
- InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9-
- Isomeric Smiles
- CCCCCCCC/C=C\CCCCCC=O
- Cas Id
- Ob Score
- Mol Logp
- 5.4426
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.2370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(Z)- 7- hexadecenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(z)-7-hexadecenal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(z)-7-hexadecenal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(7Z)-7-Hexadecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7Z)-7-Hexadecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-hexadec-7-enal
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-hexadec-7-enal
Role
alias
Source
HERB_v2
Preferred
No
Name
56797-40-1
Role
alias
Source
HERB_v2
Preferred
No
Name
56797-40-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hexadecenal, (7Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hexadecenal, (7Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Hexadecenal, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Hexadecenal, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
7Z-Hexadecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
7Z-Hexadecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-35586
Role
alias
Source
HERB_v2
Preferred
No
Name
AI3-35586
Role
alias
Source
itcmdb_public
Preferred
No
Name
Z-7-Hexadecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
Z-7-Hexadecenal
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-7-Hexadecenal
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-7-Hexadecenal
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(Z)- 7- hexadecenal(7Z)-7-Hexadecenal(Z)-hexadec-7-enal56797-40-17-Hexadecenal, (7Z)-7-Hexadecenal, (Z)-7Z-HexadecenalAI3-35586Z-7-Hexadecenalcis-7-Hexadecenal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048799
Npass
NPC33605
Tcmid
34885
Pub Chem
5364438
Tcmbank
TCMBANKIN019986
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h9-10,16H,2-8,11-15H2,1H3/b10-9-
Mol Wt
238.4149999999999
Smiles
CCCCCCCCC=CCCCCCC=O
Mol Log P
5.442600000000005
In Ch Ikey
BLJFSPZWKBTYHR-KTKRTIGZSA-N
Num Hdonors
0
Drug Likeness
0.237
Num Hacceptors
1
Isomeric Smiles
CCCCCCCC/C=C\CCCCCC=O
Canonical Smiles
CCCCCCCCC=CCCCCCC=O
Herb Alias Names
56797-40-1(Z)-hexadec-7-enal7-Hexadecenal, (Z)-7Z-HexadecenalAI3-35586(7Z)-Hexadecenal7-Hexadecenal, (7Z)-cis-7-Hexadecenal(7Z)-7-HexadecenalZ-7-Hexadecenal
Molecular Weight
238.41 g/mol
Molecular Formula
C16H30O
Molecular Formula
C16H30O
Num Rotatable Bonds
13