Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 5Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8469
- Core Entity Id
- 12582
- Source Entity Count
- 1
- Preferred Name
- 7-methoxy-4-methylcoumarin
- Name En
- Pubchem Id
- 390807
- Smiles Canonical
- CC1=CC(=O)OC2=C1C=CC(=C2)OC
- Molecular Formula
- C11H10O3
- Molecular Weight
- 190.1980
- Inchikey
- UDFPKNSWSYBIHO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
- Isomeric Smiles
- CC1=CC(=O)OC2=C1C=CC(=C2)OC
- Cas Id
- 2555-28-4
- Ob Score
- 20.5329
- Mol Logp
- 2.1100
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Methoxy-4-Methylcoumarin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Methoxy-4-Methylcoumarin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-Methoxy-4-methylcoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-Methoxy-4-methylcoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-methoxy-4-methylcoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-methoxy-4-methylcoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
246131_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2555-28-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
2555-28-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2555-28-4
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
39JDG776HP
Role
alias
Source
itcmdb_public
Preferred
No
Name
39JDG776HP
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methyl-7-methoxycoumarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methyl-7-methoxycoumarin
Role
alias
Source
HERB_v2
Preferred
No
Name
4-Methylherniarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Methylherniarin
Role
alias
Source
HERB_v2
Preferred
No
Name
65087_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
7-Methoxy-4-methyl-2H-1-benzopyran-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-Methoxy-4-methyl-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methoxy-4-methyl-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methoxy-4-methyl-2H-chromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-4-methyl-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-4-methyl-coumarin
Role
alias
Source
TCMBank
Preferred
No
Name
7-methoxy-4-methylchromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-methoxy-4-methylchromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-methoxy-4-methylchromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-150762
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_002792
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006412
Role
alias
Source
TCMBank
Preferred
No
Name
HYMECROMONE METHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
HYMECROMONE METHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
KBio1_001356
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001268
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_003836
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_006404
Role
alias
Source
TCMBank
Preferred
No
Name
KBio3_002292
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_002049
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001268
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00009773
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00009773
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methyl 4-methylumbelliferyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00095600-01
Role
alias
Source
TCMBank
Preferred
No
Name
NSC688805
Role
alias
Source
TCMBank
Preferred
No
Name
SBB010006
Role
alias
Source
TCMBank
Preferred
No
Name
SDCCGMLS-0066546.P001
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_001637
Role
alias
Source
TCMBank
Preferred
No
Name
SPECTRUM300540
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000316
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum2_001769
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum3_001256
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001475
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000149
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_000788
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC00058049
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
246131_ALDRICH2555-28-42H-1-Benzopyran-2-one, 7-methoxy-4-methyl-39JDG776HP4-Methyl-7-methoxycoumarin4-Methylherniarin65087_FLUKA7-Methoxy-4-methyl-2H-1-benzopyran-2-one7-Methoxy-4-methyl-2H-chromen-2-one7-methoxy-4-methyl-2-chromenone7-methoxy-4-methyl-coumarin7-methoxy-4-methylchromen-2-oneAIDS-150762BSPBio_002792DivK1c_006412HYMECROMONE METHYL ETHERKBio1_001356KBio2_001268KBio2_003836KBio2_006404KBio3_002292KBioGR_002049KBioSS_001268MFCD00009773Methyl 4-methylumbelliferyl etherNCGC00095600-01NSC688805SBB010006SDCCGMLS-0066546.P001SPBio_001637SPECTRUM300540SpecPlus_000316Spectrum2_001769Spectrum3_001256Spectrum4_001475Spectrum5_000149Spectrum_000788ZINC00058049
Cross References
Trusted external identifiers retained for this final record.
Cas
2555-28-4
Herb
HBIN013317
Tcmsp
MOL003585
Sym Map
SMIT05634
Pub Chem
390807
Tcmbank
TCMBANKIN036333
Etcm Ingredient
7-Methoxy-4-methylcoumarin
Itcmdb Generated
ITX-INGREDIENT-1D3048B32C41
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
Mol Wt
190.198
Cas Id
2555-28-4
Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)OC
Mol Log P
2.11002
Version
v1,v2
In Ch Ikey
UDFPKNSWSYBIHO-UHFFFAOYSA-N
Ob Score
20.53288620.5328861920.533
Suppress
0
Num Hdonors
0
Drug Likeness
0.646
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)OC
Molecule Weight
190.21
Canonical Smiles
CC1=CC(=O)OC2=C1C=CC(=C2)OC
Herb Alias Names
2555-28-47-Methoxy-4-methyl-2H-chromen-2-one4-MethylherniarinHYMECROMONE METHYL ETHER7-methoxy-4-methylchromen-2-one2H-1-Benzopyran-2-one, 7-methoxy-4-methyl-4-Methyl-7-methoxycoumarinMFCD0000977339JDG776HP
Molecular Weight
190.060
Molecular Weight
190.2
Molecular Formula
C11H10O3
Molecular Formula
C11H10O3
Molecular Formula
C11H10O3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.564
Quantitative Estimate Of Drug Likeness（Qed）
0.646