Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 2Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14320
- Core Entity Id
- 19084
- Source Entity Count
- 1
- Preferred Name
- Chromone
- Name En
- Pubchem Id
- 10286
- Smiles Canonical
- C1=CC=C2C(=C1)C(=O)C=CO2
- Molecular Formula
- C9H6O2
- Molecular Weight
- 146.1450
- Inchikey
- OTAFHZMPRISVEM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
- Isomeric Smiles
- C1=CC=C2C(=C1)C(=O)C=CO2
- Cas Id
- Ob Score
- Mol Logp
- 1.7930
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
CHROMONE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Chromone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Chromone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Chromone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
chromone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-benzopyrone
Role
alias
Source
TCMBank
Preferred
No
Name
1,4-benzopyrone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-benzopyrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-BENZOPYRAN-4(4H)-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
1-Benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
1-Benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
20C556MJ76
Role
alias
Source
TCMBank
Preferred
No
Name
3-dihydrochromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4-Chromone
Role
alias
Source
TCMBank
Preferred
No
Name
4-Chromone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Chromone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
4-oxo-4H-1-benzopyran
Role
alias
Source
TCMBank
Preferred
No
Name
491-38-3
Role
alias
Source
HERB_v2
Preferred
No
Name
491-38-3
Role
alias
Source
TCMBank
Preferred
No
Name
491-38-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-1-Benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-Benzo(b)pyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-Benzo(b)pyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
4H-Benzo(b)pyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-Chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
4H-Chromen-4-one #
Role
alias
Source
TCMBank
Preferred
No
Name
5-17-10-00139 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
90697-EP2292593A2
Role
alias
Source
TCMBank
Preferred
No
Name
90697-EP2305640A2
Role
alias
Source
TCMBank
Preferred
No
Name
A-8057
Role
alias
Source
TCMBank
Preferred
No
Name
A827660
Role
alias
Source
TCMBank
Preferred
No
Name
AB1002817
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L1UVQ
Role
alias
Source
TCMBank
Preferred
No
Name
ACM491383
Role
alias
Source
TCMBank
Preferred
No
Name
ACMC-20air4
Role
alias
Source
TCMBank
Preferred
No
Name
ACN-049175
Role
alias
Source
TCMBank
Preferred
No
Name
AF-407/03086014
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-09783
Role
alias
Source
TCMBank
Preferred
No
Name
AK-26021
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS000521772
Role
alias
Source
TCMBank
Preferred
No
Name
ANW-75230
Role
alias
Source
TCMBank
Preferred
No
Name
AX8033773
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM24783
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0114087
Role
alias
Source
TCMBank
Preferred
No
Name
Benz-g-pyrone
Role
alias
Source
TCMBank
Preferred
No
Name
Benzo-.gamma.-pyrone
Role
alias
Source
TCMBank
Preferred
No
Name
Benzo-gamma-pyrone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo-gamma-pyrone
Role
alias
Source
HERB_v2
Preferred
No
Name
C-02437
Role
alias
Source
TCMBank
Preferred
No
Name
CC-25765
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:72013
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL13311
Role
alias
Source
TCMBank
Preferred
No
Name
CHROMONE
Role
alias
Source
TCMBank
Preferred
No
Name
CS-W005942
Role
alias
Source
TCMBank
Preferred
No
Name
CTK1D6852
Role
alias
Source
TCMBank
Preferred
No
Name
Chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
Chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
Chromone, 99%
Role
alias
Source
TCMBank
Preferred
No
Name
DB-050521
Role
alias
Source
TCMBank
Preferred
No
Name
DB-051603
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40197680
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 207-737-9
Role
alias
Source
TCMBank
Preferred
No
Name
FC13
Role
alias
Source
TCMBank
Preferred
No
Name
FCH1117146
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0632217
Role
alias
Source
TCMBank
Preferred
No
Name
GS-6824
Role
alias
Source
TCMBank
Preferred
No
Name
I14-52826
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6
Role
alias
Source
TCMBank
Preferred
No
Name
KB-181978
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000KLH
Role
alias
Source
TCMBank
Preferred
No
Name
LS-53467
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-8366757644
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00024064
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002473394
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-738-536
Role
alias
Source
TCMBank
Preferred
No
Name
OR22414
Role
alias
Source
TCMBank
Preferred
No
Name
OTAFHZMPRISVEM-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SBB086467
Role
alias
Source
TCMBank
Preferred
No
Name
SC-62346
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL37994
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL7566748
Role
alias
Source
TCMBank
Preferred
No
Name
SMR001397486
Role
alias
Source
TCMBank
Preferred
No
Name
ST092368
Role
alias
Source
TCMBank
Preferred
No
Name
STOCK1N-25536
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-20C556MJ76
Role
alias
Source
TCMBank
Preferred
No
Name
V6166
Role
alias
Source
TCMBank
Preferred
No
Name
VZ31581
Role
alias
Source
TCMBank
Preferred
No
Name
ZB002246
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC57736
Role
alias
Source
TCMBank
Preferred
No
Name
ZX-AT021198
Role
alias
Source
TCMBank
Preferred
No
Name
benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
chromone, 12
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-benzopyrone1-BENZOPYRAN-4(4H)-ONE1-Benzopyran-4-one20C556MJ763-dihydrochromen-4-one4-Chromone4-chromenone4-oxo-4H-1-benzopyran491-38-34H-1-Benzopyran-4-one4H-Benzo(b)pyran-4-one4H-Chromen-4-one4H-Chromen-4-one #5-17-10-00139 (Beilstein Handbook Reference)90697-EP2292593A290697-EP2305640A2A-8057A827660AB1002817AC1L1UVQACM491383ACMC-20air4ACN-049175AF-407/03086014AJ-09783AK-26021AKOS000521772ANW-75230AX8033773BDBM24783BRN 0114087Benz-g-pyroneBenzo-.gamma.-pyroneBenzo-gamma-pyroneC-02437CC-25765CHEBI:72013CHEMBL13311CS-W005942CTK1D6852Chromen-4-oneChromone, 99%DB-050521DB-051603DTXSID40197680EINECS 207-737-9FC13FCH1117146FT-0632217GS-6824I14-52826InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6KB-181978KS-00000KLHLS-53467MCULE-8366757644MFCD00024064MLS002473394MolPort-001-738-536OR22414OTAFHZMPRISVEM-UHFFFAOYSA-NSBB086467SC-62346SCHEMBL37994SCHEMBL7566748SMR001397486ST092368STOCK1N-25536UNII-20C556MJ76V6166VZ31581ZB002246ZINC57736ZX-AT021198benzopyran-4-onechromone, 12
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020415
Npass
NPC279916
Tcmid
23588
Sym Map
SMIT18394
Pub Chem
10286
Tcmbank
TCMBANKIN017709
Etcm Ingredient
CHROMONE
Itcmdb Generated
ITX-INGREDIENT-A2CA16BBBAB6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
Mol Wt
146.145
Smiles
C1=CC=C2C(=C1)C(=O)C=CO2
Mol Log P
1.793
Version
v1,v2
In Ch Ikey
OTAFHZMPRISVEM-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.567
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=C1)C(=O)C=CO2
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C=CO2
Herb Alias Names
4H-Chromen-4-one491-38-34H-1-Benzopyran-4-one4-ChromoneChromen-4-one1-Benzopyran-4-oneBenzo-gamma-pyrone1,4-benzopyrone4H-Benzo(b)pyran-4-one
Molecular Weight
146.040
Molecular Weight
146.14 g/mol
Molecular Formula
C9H6O2
Molecular Formula
C9H6O2
Molecular Formula
C9H6O2
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.567