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
- 17022
- Core Entity Id
- 22091
- Source Entity Count
- 1
- Preferred Name
- Dicyclopentadiene diepoxide
- Name En
- Pubchem Id
- 1201083
- Smiles Canonical
- C1C2C3CC4C(C3C1C5C2O5)O4
- Molecular Formula
- C10H12O2
- Molecular Weight
- 164.2040
- Inchikey
- BQQUFAMSJAKLNB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
- Isomeric Smiles
- C1C2C3CC4C(C3C1C5C2O5)O4
- Cas Id
- 81-21-0
- Ob Score
- 78.2940
- Mol Logp
- 0.8070
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dicyclopentadiene Diepoxide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Dicyclopentadiene Diepoxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Dicyclopentadiene diepoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Dicyclopentadiene diepoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dicyclopentadiene diepoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dicyclopentadiene diepoxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
81-21-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
81-21-0
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclopentadiene dioxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclopentadiene dioxide
Role
alias
Source
HERB_v2
Preferred
No
Name
DICYCLOPENTADIENE DIOXIDE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DICYCLOPENTADIENE DIOXIDE
Role
alias
Source
HERB_v2
Preferred
No
Name
Dicyclopentadiene dioxide (VAN)
Role
alias
Source
HERB_v2
Preferred
No
Name
Dicyclopentadiene dioxide (VAN)
Role
alias
Source
itcmdb_public
Preferred
No
Name
EP 207
Role
alias
Source
HERB_v2
Preferred
No
Name
EP 207
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epoxide 207
Role
alias
Source
itcmdb_public
Preferred
No
Name
Epoxide 207
Role
alias
Source
HERB_v2
Preferred
No
Name
Unox 207
Role
alias
Source
itcmdb_public
Preferred
No
Name
Unox 207
Role
alias
Source
HERB_v2
Preferred
No
Name
Unox 207X
Role
alias
Source
HERB_v2
Preferred
No
Name
Unox 207X
Role
alias
Source
itcmdb_public
Preferred
No
Name
Unox epoxide 207
Role
alias
Source
HERB_v2
Preferred
No
Name
Unox epoxide 207
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
81-21-0Bicyclopentadiene dioxideDICYCLOPENTADIENE DIOXIDEDicyclopentadiene dioxide (VAN)EP 207Epoxide 207Unox 207Unox 207XUnox epoxide 207
Cross References
Trusted external identifiers retained for this final record.
Cas
81-21-0
Herb
HBIN023729
Tcmsp
MOL002090
Sym Map
SMIT04396
Pub Chem
12010835335030253393744552503966673
Tcmbank
TCMBANKIN002555
Etcm Ingredient
Dicyclopentadiene diepoxide
Itcmdb Generated
ITX-INGREDIENT-94D1337F2611
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H12O2/c1-4-3-2-6-10(11-6)7(3)5(1)9-8(4)12-9/h3-10H,1-2H2
Mol Wt
164.204
Cas Id
81-21-0
Smiles
C1C2C3CC4C(C3C1C5C2O5)O4
Mol Log P
0.8069999999999999
Version
v1,v2
In Ch Ikey
BQQUFAMSJAKLNB-UHFFFAOYSA-N
Ob Score
78.29478.2942737578.294274
Suppress
0
Num Hdonors
0
Drug Likeness
0.495
Num Hacceptors
2
Isomeric Smiles
C1C2C3CC4C(C3C1C5C2O5)O4
Molecule Weight
164.22
Canonical Smiles
C1C2C3CC4C(C3C1C5C2O5)O4
Herb Alias Names
81-21-0DICYCLOPENTADIENE DIOXIDEBicyclopentadiene dioxideUnox epoxide 207Epoxide 207Unox 207XUnox 207EP 207Dicyclopentadiene dioxide (VAN)
Molecular Weight
164.080
Molecular Weight
164.2
Molecular Formula
C10H12O2
Molecular Formula
C10H12O2
Molecular Formula
C10H12O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.125
Quantitative Estimate Of Drug Likeness（Qed）
0.495