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
- 6419
- Core Entity Id
- 10315
- Source Entity Count
- 1
- Preferred Name
- (4z)-9-methyl-4-undecene
- Name En
- Pubchem Id
- 5366148
- Smiles Canonical
- CCCC=CCCCC(C)CC
- Molecular Formula
- C12H24
- Molecular Weight
- 168.3240
- Inchikey
- MRDXRMFXCKZKKF-FPLPWBNLSA-N
- Inchi
- InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
- Isomeric Smiles
- CCC/C=C\CCCC(C)CC
- Cas Id
- Ob Score
- Mol Logp
- 4.5591
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(4Z)-9-methyl-4-undecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4z)-9-methyl-4-undecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4z)-9-methyl-4-undecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(4Z)-9-Methyl-4-undecene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4Z)-9-Methyl-4-undecene #
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-9-methylundec-4-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-9-methylundec-4-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Undecene, 9-methyl-, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Undecene, 9-methyl-, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
74630-56-1
Role
alias
Source
HERB_v2
Preferred
No
Name
74630-56-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00338719
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00338719
Role
alias
Source
itcmdb_public
Preferred
No
Name
MRDXRMFXCKZKKF-FPLPWBNLSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
MRDXRMFXCKZKKF-FPLPWBNLSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4Z)-9-Methyl-4-undecene #(Z)-9-methylundec-4-ene4-Undecene, 9-methyl-, (Z)-74630-56-1DTXSID00338719MRDXRMFXCKZKKF-FPLPWBNLSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010939
Tcmid
35341
Pub Chem
5366148
Tcmbank
TCMBANKIN005755
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H24/c1-4-6-7-8-9-10-11-12(3)5-2/h7-8,12H,4-6,9-11H2,1-3H3/b8-7-
Mol Wt
168.324
Mol Log P
4.559100000000003
In Ch Ikey
MRDXRMFXCKZKKF-FPLPWBNLSA-N
Num Hdonors
0
Drug Likeness
0.386
Num Hacceptors
0
Isomeric Smiles
CCC/C=C\CCCC(C)CC
Canonical Smiles
CCCC=CCCCC(C)CC
Herb Alias Names
4-Undecene, 9-methyl-, (Z)-(Z)-9-methylundec-4-ene74630-56-1(4Z)-9-Methyl-4-undecene #DTXSID00338719MRDXRMFXCKZKKF-FPLPWBNLSA-N
Molecular Formula
C12H24
Num Rotatable Bonds
7