Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8158
- Core Entity Id
- 12240
- Source Entity Count
- 1
- Preferred Name
- 7,8-dimethoxycoumarin
- Name En
- Pubchem Id
- 142768
- Smiles Canonical
- COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
- Molecular Formula
- C11H10O4
- Molecular Weight
- 206.1970
- Inchikey
- CHBBSMUTOCUVDW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3
- Isomeric Smiles
- COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
- Cas Id
- 2445-80-9
- Ob Score
- Mol Logp
- 1.8102
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7,8-dimethoxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7,8-dimethoxycoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7,8-dimethoxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7,8-dimethoxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2445-80-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2445-80-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one,7,8-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one,7,8-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-dimethoxy-coumarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-dimethoxy-coumarin
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-dimethoxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-dimethoxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70179212
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70179212
Role
alias
Source
HERB_v2
Preferred
No
Name
Daphnetin dimethyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Daphnetin dimethyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Name
Di-O-methyl-esculetin
Role
alias
Source
HERB_v2
Preferred
No
Name
Di-O-methyl-esculetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3362753
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3362753
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2445-80-92H-1-Benzopyran-2-one,7,8-dimethoxy-7,8-dimethoxy-coumarin7,8-dimethoxychromen-2-oneDTXSID70179212Daphnetin dimethyl etherDi-O-methyl-esculetinSCHEMBL3362753
Cross References
Trusted external identifiers retained for this final record.
Cas
2445-80-9
Herb
HBIN012989
Tcm Id
7475
Pub Chem
142768
Tcmbank
TCMBANKIN027824
Etcm Ingredient
7,8-dimethoxycoumarin
Itcmdb Generated
ITX-INGREDIENT-17CBE9433AC2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3
Mol Wt
206.1969999999999
Cas Id
2445-80-9
Smiles
COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
Mol Log P
1.8102
In Ch Ikey
CHBBSMUTOCUVDW-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.703
Num Hacceptors
4
Isomeric Smiles
COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
Canonical Smiles
COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
Herb Alias Names
2445-80-9Daphnetin dimethyl ether7,8-dimethoxychromen-2-one2H-1-Benzopyran-2-one,7,8-dimethoxy-2H-1-Benzopyran-2-one, 7,8-dimethoxy-DTXSID70179212Di-O-methyl-esculetin7,8-dimethoxy-coumarinSCHEMBL3362753
Molecular Weight
206.060
Molecular Weight
206.19
Molecular Formula
C11H10O4
Molecular Formula
C11H10O4
Molecular Formula
C11H10O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.703