Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15446
- Core Entity Id
- 20335
- Source Entity Count
- 1
- Preferred Name
- Cruex
- Name En
- Pubchem Id
- 5634
- Smiles Canonical
- C=CCCCCCCCCC(=O)O
- Molecular Formula
- C11H20O2
- Molecular Weight
- 184.2790
- Inchikey
- FRPZMMHWLSIFAZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
- Isomeric Smiles
- C=CCCCCCCCCC(=O)O
- Cas Id
- 112-38-9
- Ob Score
- 41.9870
- Mol Logp
- 3.3778
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.4400
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cruex
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cruex
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cruex
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cruex
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cruex
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cruex
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Undecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10-Hendecenoic
Role
alias
Source
TCMBank
Preferred
No
Name
10-Hendecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Hendecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10-Hendecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Henedecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10-UNDECENOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
10-UNDECENOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Undecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
10-Undecylenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
112-38-9
Role
alias
Source
HERB_v2
Preferred
No
Name
112-38-9
Role
alias
Source
TCMBank
Preferred
No
Name
112-38-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
124672_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
1333-28-4
Role
alias
Source
TCMBank
Preferred
No
Name
27817_RIEDEL
Role
alias
Source
TCMBank
Preferred
No
Name
4-02-00-01612 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
9-Undecylenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
94192_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-02065
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS108286
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 1762631
Role
alias
Source
TCMBank
Preferred
No
Name
C13910
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:35045
Role
alias
Source
TCMBank
Preferred
No
Name
Caswell No. 901
Role
alias
Source
TCMBank
Preferred
No
Name
Cruex (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
D02159
Role
alias
Source
TCMBank
Preferred
No
Name
Declid
Role
alias
Source
HERB_v2
Preferred
No
Name
Declid
Role
alias
Source
TCMBank
Preferred
No
Name
Declid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Desenex
Role
alias
Source
HERB_v2
Preferred
No
Name
Desenex
Role
alias
Source
TCMBank
Preferred
No
Name
Desenex
Role
alias
Source
itcmdb_public
Preferred
No
Name
Desenex solution
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 203-965-8
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 215-583-9
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 085501
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA No. 3247
Role
alias
Source
TCMBank
Preferred
No
Name
Hendecenoic acid, omega-
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina 9-decen-1-karboxylova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
Kyselina undecylenova [Czech]
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01030036
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159425-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159425-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_001670
Role
alias
Source
TCMBank
Preferred
No
Name
NCIOpen2_002642
Role
alias
Source
TCMBank
Preferred
No
Name
NSC2013
Role
alias
Source
TCMBank
Preferred
No
Name
Renselin
Role
alias
Source
HERB_v2
Preferred
No
Name
Renselin
Role
alias
Source
TCMBank
Preferred
No
Name
Renselin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SBB009049
Role
alias
Source
TCMBank
Preferred
No
Name
Sevinon
Role
alias
Source
HERB_v2
Preferred
No
Name
Sevinon
Role
alias
Source
TCMBank
Preferred
No
Name
Sevinon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undec-10-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Undec-10-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Undec-10-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Undecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undecenoic acid, omega-
Role
alias
Source
TCMBank
Preferred
No
Name
Undecyl-10-enic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Undecylenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Undecylenic acid (JAN/USP)
Role
alias
Source
TCMBank
Preferred
No
Name
Undecylenic acid [JAN]
Role
alias
Source
TCMBank
Preferred
No
Name
W324701_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
WLN: QV9U1
Role
alias
Source
TCMBank
Preferred
No
Name
component of Desenex
Role
alias
Source
TCMBank
Preferred
No
Name
omega-hendecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
omega-undecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
undecylenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
undecylenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Undecenoic acid10-Hendecenoic10-Hendecenoic acid10-Henedecenoic acid10-UNDECENOIC ACID10-Undecylenic acid112-38-9124672_ALDRICH1333-28-427817_RIEDEL4-02-00-01612 (Beilstein Handbook Reference)9-Undecylenic acid94192_FLUKAAI3-02065AIDS108286BRN 1762631C13910CHEBI:35045Caswell No. 901Cruex (TN)D02159DeclidDesenexDesenex solutionEINECS 203-965-8EINECS 215-583-9EPA Pesticide Chemical Code 085501FEMA No. 3247Hendecenoic acid, omega-InChI=1/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13Kyselina 9-decen-1-karboxylova [Czech]Kyselina undecylenova [Czech]LMFA01030036NCGC00159425-02NCGC00159425-03NCI60_001670NCIOpen2_002642NSC2013RenselinSBB009049SevinonUndec-10-enoic acidUndecenoic acidUndecenoic acid, omega-Undecyl-10-enic acidUndecylenic acidUndecylenic acid (JAN/USP)Undecylenic acid [JAN]W324701_ALDRICHWLN: QV9U1component of Desenexomega-hendecenoic acidomega-undecenoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
112-38-9
Herb
HBIN021769
Npass
NPC180534
Tcmsp
MOL004755
Sym Map
SMIT06614
Pub Chem
5634
Tcmbank
TCMBANKIN012805
Etcm Ingredient
Cruex
Itcmdb Generated
ITX-INGREDIENT-1A57CF1C7D19
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)
Mol Wt
184.279
Cas Id
112-38-9
Smiles
C=CCCCCCCCCC(=O)O
Mol Log P
3.377800000000001
Version
v1v1,v2
In Ch Ikey
FRPZMMHWLSIFAZ-UHFFFAOYSA-N
Ob Score
41.98741.98749841.98749837
Suppress
0
Num Hdonors
1
Drug Likeness
0.44
Num Hacceptors
1
Isomeric Smiles
C=CCCCCCCCCC(=O)O
Molecule Weight
184.31
Canonical Smiles
C=CCCCCCCCCC(=O)O
Herb Alias Names
undecylenic acid10-UNDECENOIC ACIDUndec-10-enoic acid112-38-9Undecenoic acidDesenex10-Hendecenoic acidRenselinSevinonDeclid
Molecular Weight
184.150
Molecular Weight
184.28
Molecular Formula
C11H20O2
Molecular Formula
C11H20O2
Molecular Formula
C11H20O2
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.440