Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 10Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38350
- Core Entity Id
- 63995
- Source Entity Count
- 1
- Preferred Name
- 1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
- Name En
- Pubchem Id
- 11602329
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O)OC
- Molecular Formula
- C17H12O7
- Molecular Weight
- 328.2760
- Inchikey
- FBPDUHIOILHCFT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O7/c1-21-11-5-8-10(6-12(11)22-2)23-16-14(8)17(20)24-13-4-7(18)3-9(19)15(13)16/h3-6,18-19H,1-2H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O)OC
- Cas Id
- Ob Score
- 62.9010
- Mol Logp
- 3.1208
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3-Dihydroxy-8,9-Dimethoxy-6-Benzofurano[3,2-C]Chromenone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,3-Dihydroxy-8,9-Dimethoxy-6-Benzofurano[3,2-C]Chromenone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3-dihydroxy-8,9-dimethoxy-[1]benzoxolo[3,2-c]chromen-6-one
Role
alias
Source
TCMBank
Preferred
No
Name
1,3-dihydroxy-8,9-dimethoxy-benzofurano[3,2-c]chromen-6-one
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-dihydroxy-8,9-dimethoxy-[1]benzoxolo[3,2-c]chromen-6-one1,3-dihydroxy-8,9-dimethoxy-benzofurano[3,2-c]chromen-6-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001196
Tcmsp
MOL004914
Sym Map
SMIT06755
Pub Chem
11602329
Tcmbank
TCMBANKIN008147
Etcm Ingredient
1,3-dihydroxy-8,9-dimethoxy-6-benzofurano[3,2-c]chromenone
Itcmdb Generated
ITX-INGREDIENT-BABCB6FD49FF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H12O7/c1-21-11-5-8-10(6-12(11)22-2)23-16-14(8)17(20)24-13-4-7(18)3-9(19)15(13)16/h3-6,18-19H,1-2H3
Mol Wt
328.276
Mol Log P
3.120800000000002
Version
v1,v2
In Ch Ikey
FBPDUHIOILHCFT-UHFFFAOYSA-N
Ob Score
62.90162.9013548662.901355
Suppress
0
Num Hdonors
2
Drug Likeness
0.545
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O)OC
Molecule Weight
328.29
Canonical Smiles
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4OC3=O)O)O)OC
Molecular Weight
328.060
Molecular Weight
328.29
Molecular Formula
C17H12O7
Molecular Formula
C17H12O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.899
Quantitative Estimate Of Drug Likeness（Qed）
0.545