Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15241
- Core Entity Id
- 20107
- Source Entity Count
- 1
- Preferred Name
- Coronaric acid
- Name En
- Pubchem Id
- 6246154
- Smiles Canonical
- CCCCCC=CCC1C(O1)CCCCCCCC(=O)O
- Molecular Formula
- C18H32O3
- Molecular Weight
- 296.4510
- Inchikey
- FBUKMFOXMZRGRB-YFHOEESVSA-N
- Inchi
- InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
- Isomeric Smiles
- CCCCC/C=C\CC1C(O1)CCCCCCCC(=O)O
- Cas Id
- 16833-56-0
- Ob Score
- Mol Logp
- 5.0957
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coronaric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Coronaric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coronaric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coronaric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
coronaric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6814-52-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6814-52-4
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(10)-EpOME
Role
alias
Source
itcmdb_public
Preferred
No
Name
9(10)-EpOME
Role
alias
Source
HERB_v2
Preferred
No
Name
9(10)-Epoxy-12Z-octadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Epoxyoctadecenoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Epoxyoctadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-epoxy-12Z-octadecenoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-epoxyoctadec-12(Z)-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-epoxyoctadec-12(Z)-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:34494
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:34494
Role
alias
Source
HERB_v2
Preferred
No
Name
LEUKOTOXIN A (9,10-EODE)
Role
alias
Source
HERB_v2
Preferred
No
Name
LEUKOTOXIN A (9,10-EODE)
Role
alias
Source
itcmdb_public
Preferred
No
Name
coronaricacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6814-52-48-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid9(10)-EpOME9(10)-Epoxy-12Z-octadecenoic acid9,10-Epoxyoctadecenoic acid9,10-epoxy-12Z-octadecenoic acid9,10-epoxyoctadec-12(Z)-enoic acidCHEBI:34494LEUKOTOXIN A (9,10-EODE)coronaricacid
Cross References
Trusted external identifiers retained for this final record.
Cas
16833-56-0
Herb
HBIN021512
Npass
NPC68343
Tcmid
308104079
Sym Map
SMIT23098
Tcm Id
5483
Pub Chem
6246154
Tcmbank
TCMBANKIN008624
Etcm Ingredient
Coronaric acid
Itcmdb Generated
ITX-INGREDIENT-178CC4A250B5
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
In Ch I
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-
Mol Wt
296.4509999999999
Cas Id
16833-56-0
Smiles
CCCCCC=CCC1C(O1)CCCCCCCC(=O)O
Mol Log P
5.095700000000004
Version
v2
In Ch Ikey
FBUKMFOXMZRGRB-YFHOEESVSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.276
Num Hacceptors
2
Isomeric Smiles
CCCCC/C=C\CC1C(O1)CCCCCCCC(=O)O
Canonical Smiles
CCCCCC=CCC1C(O1)CCCCCCCC(=O)O
Herb Alias Names
9(10)-EpOME9,10-epoxy-12Z-octadecenoic acid9,10-Epoxyoctadecenoic acidCHEBI:344948-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acidLEUKOTOXIN A (9,10-EODE)9,10-epoxyoctadec-12(Z)-enoic acid6814-52-49(10)-Epoxy-12Z-octadecenoic acid
Molecular Weight
296.240
Molecular Weight
296.44
Molecule Formula
C18H32O3
Molecular Formula
C18H32O3
Molecular Formula
C18H32O3
Molecular Formula
C18H32O3
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.093
Quantitative Estimate Of Drug Likeness（Qed）
0.276