Relationship Network
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3073
- Core Entity Id
- 6604
- Source Entity Count
- 1
- Preferred Name
- 3-(2-hydroxy-4-methoxyphenyl)-2h-chromen-7-ol
- Name En
- Pubchem Id
- 10378419
- Smiles Canonical
- COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)O
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- CXCORJXYCPSBSK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,17-18H,9H2,1H3
- Isomeric Smiles
- COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)O
- Cas Id
- Ob Score
- 4.6646
- Mol Logp
- 3.0394
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-(2-Hydroxy-4-Methoxyphenyl)-2H-Chromen-7-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-(2-Hydroxy-4-Methoxyphenyl)-2H-Chromen-7-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-7-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-7-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-(2-hydroxy-4-methoxyphenyl)-2h-chromen-7-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3-(2-hydroxy-4-methoxyphenyl)-2h-chromen-7-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(2-hydroxy-4-methoxy-phenyl)-2H-chromen-7-ol
Role
alias
Source
TCMBank
Preferred
No
Name
68178-63-2
Role
alias
Source
HERB_v2
Preferred
No
Name
68178-63-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,2'-dihydroxy-4'-methoxyisoflav-3-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,2'-dihydroxy-4'-methoxyisoflav-3-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bolusanthin III
Role
alias
Source
HERB_v2
Preferred
No
Name
Bolusanthin III
Role
alias
Source
itcmdb_public
Preferred
No
Name
CXCORJXYCPSBSK-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
CXCORJXYCPSBSK-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90438999
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90438999
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-3-(2-hydroxy-4-methoxy-phenyl)-2H-chromen-7-ol68178-63-27,2'-dihydroxy-4'-methoxyisoflav-3-eneBolusanthin IIICXCORJXYCPSBSK-UHFFFAOYSA-NDTXSID90438999
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007042
Tcmsp
MOL004834
Sym Map
SMIT06683
Pub Chem
10378419
Tcmbank
TCMBANKIN015830
Etcm Ingredient
3-(2-hydroxy-4-methoxyphenyl)-2H-chromen-7-ol
Itcmdb Generated
ITX-INGREDIENT-8FED6A23FDDD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,17-18H,9H2,1H3
Mol Wt
270.284
Mol Log P
3.039400000000003
Version
v1,v2
In Ch Ikey
CXCORJXYCPSBSK-UHFFFAOYSA-N
Ob Score
4.6646494.6646493224.665
Suppress
0
Num Hdonors
2
Drug Likeness
0.88
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)O
Molecule Weight
270.3
Canonical Smiles
COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2)O
Herb Alias Names
68178-63-22H-1-Benzopyran-7-ol, 3-(2-hydroxy-4-methoxyphenyl)-Bolusanthin IIIDTXSID90438999CXCORJXYCPSBSK-UHFFFAOYSA-N7,2'-dihydroxy-4'-methoxyisoflav-3-ene
Molecular Weight
270.090
Molecular Weight
270.3
Molecular Formula
C16H14O4
Molecular Formula
C16H14O4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.829
Quantitative Estimate Of Drug Likeness（Qed）
0.880