Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6488
- Core Entity Id
- 10389
- Source Entity Count
- 1
- Preferred Name
- 5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
- Name En
- Pubchem Id
- 10043920
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3O)C(=O)OC)O)O
- Molecular Formula
- C18H14O8
- Molecular Weight
- 358.3020
- Inchikey
- OLRFQFIJODVBCC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O8/c1-24-12-4-3-8(5-10(12)19)17-16(22)15(21)14-11(20)6-9(18(23)25-2)7-13(14)26-17/h3-7,19-20,22H,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C(=O)OC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.3720
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5,3'-dihydroxy-4'-methoxy-7-methoxycarbonyl-flavonol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL464591
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL464591
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
CHEMBL464591
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011019
Npass
NPC130955
Tcmid
5986
Pub Chem
10043920
Tcmbank
TCMBANKIN002414
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O8/c1-24-12-4-3-8(5-10(12)19)17-16(22)15(21)14-11(20)6-9(18(23)25-2)7-13(14)26-17/h3-7,19-20,22H,1-2H3
Mol Wt
358.302
Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3O)C(=O)OC)O)O
Mol Log P
2.372000000000002
In Ch Ikey
OLRFQFIJODVBCC-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.609
Num Hacceptors
8
Isomeric Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C(=O)OC)O)O)O
Canonical Smiles
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)C(=O)OC)O)O)O
Herb Alias Names
CHEMBL464591
Molecular Formula
C18H14O8
Molecular Formula
C18H14O8
Num Rotatable Bonds
3