Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 2Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15805
- Core Entity Id
- 20737
- Source Entity Count
- 1
- Preferred Name
- Cyclododecene
- Name En
- Pubchem Id
- 15164
- Smiles Canonical
- C1CCCCCC=CCCCC1
- Molecular Formula
- C12H22
- Molecular Weight
- 166.3080
- Inchikey
- HYPABJGVBDSCIT-UPHRSURJSA-N
- Inchi
- InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
- Isomeric Smiles
- C1CCCCC/C=C\CCCC1
- Cas Id
- 1501-82-2
- Ob Score
- 47.8870
- Mol Logp
- 4.4572
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclododecene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
CYCLODODECENE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
CYCLODODECENE
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cyclododecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cyclododecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cyclododecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(11Z)-cyclododecene
Role
alias
Source
TCMBank
Preferred
No
Name
(1Z)-cyclododecene
Role
alias
Source
TCMBank
Preferred
No
Name
(Z)-Cyclododecene
Role
alias
Source
TCMBank
Preferred
No
Name
(Z)-Cyclododecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-Cyclododecene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Cyclododecene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Cyclododecene #
Role
alias
Source
HERB_v2
Preferred
No
Name
1129-89-1
Role
alias
Source
HERB_v2
Preferred
No
Name
1129-89-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
1129-89-1
Role
alias
Source
TCMBank
Preferred
No
Name
1501-82-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
1501-82-2
Role
alias
Source
TCMBank
Preferred
No
Name
1501-82-2
Role
alias
Source
HERB_v2
Preferred
No
Name
C97601_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
CYCLODODECENE (TRANS)
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclododecene
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclododecene (c,t)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclododecene, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclododecene, (Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclododecene, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cyclododecene, mixture of cis and trans
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclododecene,c&t
Role
alias
Source
HERB_v2
Preferred
No
Name
Cyclododecene,c&t
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 216-117-7
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00003721
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00003721
Role
alias
Source
itcmdb_public
Preferred
No
Name
ST5406269
Role
alias
Source
TCMBank
Preferred
No
Name
cis-Cyclododecene.
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-Cyclododecene.
Role
alias
Source
itcmdb_public
Preferred
No
Name
cyclododecene, (1Z)-
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11Z)-cyclododecene(1Z)-cyclododecene(Z)-Cyclododecene1-Cyclododecene #1129-89-11501-82-2C97601_ALDRICHCYCLODODECENE (TRANS)Cyclododecene (c,t)Cyclododecene, (Z)-Cyclododecene, mixture of cis and transCyclododecene,c&tEINECS 216-117-7InChI=1/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1MFCD00003721ST5406269cis-Cyclododecene.cyclododecene, (1Z)-
Cross References
Trusted external identifiers retained for this final record.
Cas
1501-82-2
Herb
HBIN022202
Npass
NPC231844
Tcmid
33402
Tcmsp
MOL002129
Sym Map
SMIT04431
Pub Chem
151645365627637538
Tcmbank
TCMBANKIN012089
Etcm Ingredient
CYCLODODECENE
Itcmdb Generated
ITX-INGREDIENT-DE97E112BF08
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-
Mol Wt
166.308
Cas Id
1501-82-2
Smiles
C1CCCCCC=CCCCC1
Mol Log P
4.457200000000004
Version
v1,v2
In Ch Ikey
HYPABJGVBDSCIT-UPHRSURJSA-N
Ob Score
47.88747.88726147.88726128
Suppress
0
Num Hdonors
0
Drug Likeness
0.466
Num Hacceptors
0
Isomeric Smiles
C1CCCCC/C=C\CCCC1
Molecule Weight
166.34
Canonical Smiles
C1CCCCCC=CCCCC1
Herb Alias Names
1501-82-2(Z)-Cyclododecene1129-89-1Cyclododecene, (Z)-Cyclododecene,c&tcis-Cyclododecene.1-Cyclododecene #Cyclododecene (c,t)MFCD00003721
Molecular Weight
166.170
Molecular Weight
166.3
Molecular Formula
C12H22
Molecular Formula
C12H22
Molecular Formula
C12H22
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.040
Quantitative Estimate Of Drug Likeness（Qed）
0.466