Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36817
- Core Entity Id
- 44120
- Source Entity Count
- 1
- Preferred Name
- Wrightiadione
- Name En
- Pubchem Id
- 10422105
- Smiles Canonical
- C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O
- Molecular Formula
- C16H8O3
- Molecular Weight
- 248.2370
- Inchikey
- CXXCRLLJRGEAJV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H8O3/c17-14-11-7-3-4-8-12(11)19-16-13(14)9-5-1-2-6-10(9)15(16)18/h1-8H
- Isomeric Smiles
- C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O
- Cas Id
- Ob Score
- Mol Logp
- 3.0044
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Wrightiadione
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Wrightiadione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Wrightiadione
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Wrightiadione
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
wrightiadione
Role
preferred
Source
TCMBank
Preferred
Yes
Name
148180-61-4
Role
alias
Source
HERB_v2
Preferred
No
Name
148180-61-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
6H,11H-Indeno(2,1-b)chromene-6,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
6H,11H-Indeno(2,1-b)chromene-6,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benz(b)indeno(1,2-E)pyran-6,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benz[b]indeno[1,2-e]pyran-6,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3629616
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3629616
Role
alias
Source
HERB_v2
Preferred
No
Name
INDENO[2,1-B]CHROMENE-6,11-DIONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
INDENO[2,1-B]CHROMENE-6,11-DIONE
Role
alias
Source
HERB_v2
Preferred
No
Name
KWW2264QDT
Role
alias
Source
itcmdb_public
Preferred
No
Name
KWW2264QDT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-KWW2264QDT
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-KWW2264QDT
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
148180-61-46H,11H-Indeno(2,1-b)chromene-6,11-dioneBenz(b)indeno(1,2-E)pyran-6,11-dioneBenz[b]indeno[1,2-e]pyran-6,11-dioneCHEMBL3629616INDENO[2,1-B]CHROMENE-6,11-DIONEKWW2264QDTUNII-KWW2264QDT
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048397
Tcmid
22717
Sym Map
SMIT18230
Pub Chem
10422105
Tcmbank
TCMBANKIN013182
Etcm Ingredient
Wrightiadione
Itcmdb Generated
ITX-INGREDIENT-8B3581443B19
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H8O3/c17-14-11-7-3-4-8-12(11)19-16-13(14)9-5-1-2-6-10(9)15(16)18/h1-8H
Mol Wt
248.237
Smiles
C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O
Mol Log P
3.004400000000001
Version
v1,v2
In Ch Ikey
CXXCRLLJRGEAJV-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.48
Num Hacceptors
3
Isomeric Smiles
C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O
Canonical Smiles
C1=CC=C2C(=C1)C3=C(C2=O)OC4=CC=CC=C4C3=O
Herb Alias Names
Benz[b]indeno[1,2-e]pyran-6,11-dione148180-61-4INDENO[2,1-B]CHROMENE-6,11-DIONEKWW2264QDTUNII-KWW2264QDTBenz(b)indeno(1,2-E)pyran-6,11-dioneCHEMBL3629616Indeno(2,1-b)chromene-6,11-dione6H,11H-Indeno(2,1-b)chromene-6,11-dione
Molecular Weight
248.050
Molecular Weight
248.23 g/mol
Molecular Formula
C16H8O3
Molecular Formula
C16H8O3
Molecular Formula
C16H8O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.480