Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 8Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36323
- Core Entity Id
- 43567
- Source Entity Count
- 1
- Preferred Name
- Vca
- Name En
- Pubchem Id
- 5282761
- Smiles Canonical
- CCCCCCC=CCCCCCCCCCC(=O)O
- Molecular Formula
- C18H34O2
- Molecular Weight
- 282.4680
- Inchikey
- UWHZIFQPPBDJPM-FPLPWBNLSA-N
- Inchi
- InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
- Isomeric Smiles
- CCCCCC/C=C\CCCCCCCCCC(=O)O
- Cas Id
- 506-17-2
- Ob Score
- 33.1280
- Mol Logp
- 6.1085
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
VCA
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
VCA
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vca
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vca
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vca
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(11Z)-octadec-11-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(Z)-11-Octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-11-Octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-11-octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(Z)-octadec-11-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(Z)-octadec-11-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(Z)-octadec-11-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11(Z)-Octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11-Octadecenoic acid, (11Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
11-Octadecenoic acid, (Z)-
Role
alias
Source
HERB_v2
Preferred
No
Name
11-Octadecenoic acid, (Z)-
Role
alias
Source
TCMBank
Preferred
No
Name
11-Octadecenoic acid, (Z)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
11-cis-Octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11-trans-Octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
11Z-Octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
11Z-Octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-17-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-17-2
Role
alias
Source
TCMBank
Preferred
No
Name
506-17-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Asclepic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Asclepic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Asclepic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:30826
Role
alias
Source
TCMBank
Preferred
No
Name
D11-cis-Octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01030076
Role
alias
Source
TCMBank
Preferred
No
Name
V0384_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
V1131_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
VACCENIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
VACCENIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-11-Octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-11-Octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-11-Vaccenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
cis-11-octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
cis-D11-Octadecenoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
cis-octadec-11-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-octadec-11-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
cis-vaccenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
cis-vaccenic acid
Role
alias
Source
TCMBank
Preferred
No
Name
cis-vaccenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(11Z)-octadec-11-enoic acid(Z)-11-Octadecenoic acid(Z)-octadec-11-enoic acid11(Z)-Octadecenoic acid11-Octadecenoic acid, (11Z)-11-Octadecenoic acid, (Z)-11-cis-Octadecenoic acid11-trans-Octadecenoic acid11Z-Octadecenoic acid506-17-2Asclepic acidCHEBI:30826D11-cis-Octadecenoic acidLMFA01030076V0384_SIGMAV1131_SIGMAVACCENIC ACIDcis-11-Octadecenoic acidcis-11-Vaccenic acidcis-D11-Octadecenoic acidcis-octadec-11-enoic acidcis-vaccenic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
506-17-2
Herb
HBIN047774
Npass
NPC281972
Tcmsp
MOL011320
Sym Map
SMIT12242
Pub Chem
5282761
Tcmbank
TCMBANKIN000124
Drug Bank
DB04801
Etcm Ingredient
VCA
Itcmdb Generated
ITX-INGREDIENT-D24C32DAD2FC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-
Mol Wt
282.4679999999999
Cas Id
506-17-2
Smiles
CCCCCCC=CCCCCCCCCCC(=O)O
Mol Log P
6.108500000000006
Version
v1,v2
In Ch Ikey
UWHZIFQPPBDJPM-FPLPWBNLSA-N
Ob Score
33.12833.1283648133.128365
Suppress
0
Num Hdonors
1
Drug Likeness
0.291
Num Hacceptors
1
Isomeric Smiles
CCCCCC/C=C\CCCCCCCCCC(=O)O
Molecule Weight
282.52
Canonical Smiles
CCCCCCC=CCCCCCCCCCC(=O)O
Herb Alias Names
cis-vaccenic acid506-17-2cis-11-Octadecenoic acid(Z)-octadec-11-enoic acidAsclepic acid11Z-Octadecenoic acid11-Octadecenoic acid, (Z)-(Z)-11-Octadecenoic acidVACCENIC ACIDcis-octadec-11-enoic acid
Molecular Weight
282.260
Molecular Weight
282.46
Molecular Formula
C18H34O2
Molecular Formula
C18H34O2
Molecular Formula
C18H34O2
Num Rotatable Bonds
15
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.291