Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 10Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6714
- Core Entity Id
- 10642
- Source Entity Count
- 1
- Preferred Name
- 5,7-dihydroxycoumarin
- Name En
- Pubchem Id
- 5324654
- Smiles Canonical
- C1=CC(=O)OC2=CC(=CC(=C21)O)O
- Molecular Formula
- C9H6O4
- Molecular Weight
- 178.1430
- Inchikey
- KIQQFVJHWNCGAU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
- Isomeric Smiles
- C1=CC(=O)OC2=CC(=CC(=C21)O)O
- Cas Id
- 2732-18-5
- Ob Score
- 56.9270
- Mol Logp
- 1.2042
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5940
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,7-Dihydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,7-Dihydroxycoumarin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
5,7-dihydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5,7-dihydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2732-18-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
2732-18-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2732-18-5
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-2-one, 5,7-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
2H-1-Benzopyran-2-one, 5,7-dihydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one, 5,7-dihydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-2H-chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2H-chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-coumarin
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-coumarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxychromen-2-one
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxycoumarin
Role
alias
Source
TCMBank
Preferred
No
Name
Coumarin derivative, 1a
Role
alias
Source
itcmdb_public
Preferred
No
Name
Coumarin derivative, 1a
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00488354
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00488354
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC108415
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC108415
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC108415
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2732-18-52H-1-Benzopyran-2-one, 5,7-dihydroxy-5,7-Dihydroxy-chromen-2-one5,7-dihydroxy-2-chromenone5,7-dihydroxy-2H-chromen-2-one5,7-dihydroxy-coumarin5,7-dihydroxychromen-2-oneCoumarin derivative, 1aInChI=1/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11MFCD00488354NSC108415
Cross References
Trusted external identifiers retained for this final record.
Cas
2732-18-5
Herb
HBIN011304
Npass
NPC302107
Tcmid
5795
Tcmsp
MOL012682
Sym Map
SMIT13418
Pub Chem
5324654
Tcmbank
TCMBANKIN043935
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H6O4/c10-5-3-7(11)6-1-2-9(12)13-8(6)4-5/h1-4,10-11H
Mol Wt
178.143
Cas Id
2732-18-5
Smiles
C1=CC(=O)OC2=CC(=CC(=C21)O)O
Mol Log P
1.2042
Version
v1,v2
In Ch Ikey
KIQQFVJHWNCGAU-UHFFFAOYSA-N
Ob Score
56.92756.92722356.92722316
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/05796.mol2
Reference
5255
Num Hdonors
2
Drug Likeness
0.594
Num Hacceptors
4
Isomeric Smiles
C1=CC(=O)OC2=CC(=CC(=C21)O)O
Molecule Weight
178.15
Canonical Smiles
C1=CC(=O)OC2=CC(=CC(=C21)O)O
Herb Alias Names
5,7-dihydroxy-2H-chromen-2-one2732-18-55,7-dihydroxychromen-2-oneMFCD004883542H-1-Benzopyran-2-one, 5,7-dihydroxy-NSC1084155,7-dihydroxy-coumarinCoumarin derivative, 1a5,7-Dihydroxy-chromen-2-one
Molecular Weight
178.14
Molecular Formula
C9H6O4
Molecular Formula
C9H6O4
Num Rotatable Bonds
0