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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15504
- Core Entity Id
- 20401
- Source Entity Count
- 1
- Preferred Name
- Cucurbic acid
- Name En
- Pubchem Id
- 11171865
- Smiles Canonical
- CCC=CCC1C(CCC1O)CC(=O)O
- Molecular Formula
- C12H20O3
- Molecular Weight
- 212.2890
- Inchikey
- LYSGIJUGUGJIPS-ONEGZZNKSA-N
- Inchi
- InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+
- Isomeric Smiles
- CC/C=C/CC1C(CCC1O)CC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.2045
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cucurbic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cucurbic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cucurbic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cucurbic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cucurbic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-Cucurbic acid (5mg/ml in Acetonitrile)
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-Cucurbic acid (5mg/ml in Acetonitrile)
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)aceticacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
131488-83-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
131488-83-0
Role
alias
Source
HERB_v2
Preferred
No
Name
2-{3-hydroxy-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-{3-hydroxy-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
3-HYDROXY-2-(2-PENTENYL)CYCLOPENTANEACETIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-HYDROXY-2-(2-PENTENYL)CYCLOPENTANEACETIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL669994
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL669994
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6727796
Role
alias
Source
TCMBank
Preferred
No
Name
cucurbicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-Cucurbic acid (5mg/ml in Acetonitrile)(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)aceticacid131488-83-02-{3-hydroxy-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetic acid3-HYDROXY-2-(2-PENTENYL)CYCLOPENTANEACETIC ACIDSCHEMBL669994SCHEMBL6727796cucurbicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021840
Npass
NPC309575
Tcmid
308334313
Sym Map
SMIT19153
Pub Chem
1117186544156552811596123064
Tcmbank
TCMBANKIN023462
Etcm Ingredient
Cucurbic acid
Itcmdb Generated
ITX-INGREDIENT-CFF54A677C85
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-11,13H,2,5-8H2,1H3,(H,14,15)/b4-3+
Mol Wt
212.289
Smiles
CCC=CCC1C(CCC1O)CC(=O)O
Mol Log P
2.2045
Version
v1,v2
In Ch Ikey
LYSGIJUGUGJIPS-ONEGZZNKSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.687
Num Hacceptors
2
Isomeric Smiles
CC/C=C/CC1C(CCC1O)CC(=O)O
Canonical Smiles
CCC=CCC1C(CCC1O)CC(=O)O
Herb Alias Names
131488-83-0(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)acetic acid2-{3-hydroxy-2-[(2E)-pent-2-en-1-yl]cyclopentyl}acetic acid2-(3-hydroxy-2-((2E)-pent-2-en-1-yl)cyclopentyl)acetic acid(+/-)-Cucurbic acid (5mg/ml in Acetonitrile)SCHEMBL6699943-HYDROXY-2-(2-PENTENYL)CYCLOPENTANEACETIC ACID(E)-2-(3-Hydroxy-2-(pent-2-en-1-yl)cyclopentyl)aceticacid
Molecular Weight
212.140
Molecular Weight
212.28 g/mol
Molecular Formula
C12H20O3
Molecular Formula
C12H20O3
Molecular Formula
C12H20O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.087
Quantitative Estimate Of Drug Likeness（Qed）
0.687