Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 9Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 26629
- Core Entity Id
- 32788
- Source Entity Count
- 1
- Preferred Name
- Moracin a
- Name En
- Pubchem Id
- 441839
- Smiles Canonical
- COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.2830
- Inchikey
- DCCBMAKQGXCAQH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O5/c1-19-12-6-15(20-2)13-8-14(21-16(13)7-12)9-3-10(17)5-11(18)4-9/h3-8,17-18H,1-2H3
- Isomeric Smiles
- COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
- Cas Id
- 67259-17-0
- Ob Score
- 64.3888
- Mol Logp
- 3.5282
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Moracin A
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Moracin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Moracin A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Moracin A
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Moracin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Moracin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3-Benzenediol, 5-(4,6-dimethoxy-2-benzofuranyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Benzenediol, 5-(4,6-dimethoxy-2-benzofuranyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-Benzenediol, 5-(4,6-dimethoxy-2-benzofuranyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(4,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
5-(4,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(4,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(4,6-dimethoxy-2-benzofuranyl)benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
5-(4,6-dimethoxybenzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(4,6-dimethoxybenzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(4,6-dimethoxybenzofuran-2-yl)benzene-1,3-diol
Role
alias
Source
TCMBank
Preferred
No
Name
5-(4,6-dimethoxybenzofuran-2-yl)resorcinol
Role
alias
Source
TCMBank
Preferred
No
Name
67259-17-0
Role
alias
Source
HERB_v2
Preferred
No
Name
67259-17-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
67259-17-0
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L9BQW
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9BQW
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08844
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08844
Role
alias
Source
TCMBank
Preferred
No
Name
C08844
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6994
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6994
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3397309
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3397309
Role
alias
Source
HERB_v2
Preferred
No
Name
CTK5C5941
Role
alias
Source
itcmdb_public
Preferred
No
Name
CTK5C5941
Role
alias
Source
HERB_v2
Preferred
No
Name
moracin a
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Benzenediol, 5-(4,6-dimethoxy-2-benzofuranyl)-5-(4,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diol5-(4,6-dimethoxy-2-benzofuranyl)benzene-1,3-diol5-(4,6-dimethoxybenzofuran-2-yl)benzene-1,3-diol5-(4,6-dimethoxybenzofuran-2-yl)resorcinol67259-17-0AC1L9BQWC08844CHEBI:6994CHEMBL3397309CTK5C5941
Cross References
Trusted external identifiers retained for this final record.
Cas
67259-17-0
Herb
HBIN035718
Tcmsp
MOL012714
Sym Map
SMIT13448
Tcm Id
233572566
Pub Chem
441839
Tcmbank
TCMBANKIN020645
Etcm Ingredient
Moracin A
Itcmdb Generated
ITX-INGREDIENT-68630152CDD6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O5/c1-19-12-6-15(20-2)13-8-14(21-16(13)7-12)9-3-10(17)5-11(18)4-9/h3-8,17-18H,1-2H3
Mol Wt
286.283
Cas Id
67259-17-0
Smiles
COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
Mol Log P
3.528200000000003
Version
v1,v2
In Ch Ikey
DCCBMAKQGXCAQH-UHFFFAOYSA-N
Ob Score
64.3887508864.38875164.389
Suppress
0
Num Hdonors
2
Drug Likeness
0.77
Num Hacceptors
5
Isomeric Smiles
COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
Molecule Weight
286.3
Canonical Smiles
COC1=CC2=C(C=C(O2)C3=CC(=CC(=C3)O)O)C(=C1)OC
Herb Alias Names
67259-17-01,3-Benzenediol, 5-(4,6-dimethoxy-2-benzofuranyl)-CHEBI:6994C088445-(4,6-dimethoxybenzofuran-2-yl)benzene-1,3-diolAC1L9BQWCTK5C59415-(4,6-dimethoxy-1-benzofuran-2-yl)benzene-1,3-diolCHEMBL3397309
Molecular Weight
286.080
Molecular Weight
286.28
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.927
Quantitative Estimate Of Drug Likeness（Qed）
0.770