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
- 41592
- Core Entity Id
- 84603
- Source Entity Count
- 1
- Preferred Name
- 6-Methoxy-7-O-Β-D-(4'-Methoxy)Glucopyrano-Syl Coumarin
- Name En
- Pubchem Id
- Smiles Canonical
- COc1cc(-c2[o+]c3cc(O)cc(O)c3cc2OC2OC(COc3cc4ccccc4oc3=O)C(O)C(O)C2O)ccc1O
- Molecular Formula
- C31H27O13+
- Molecular Weight
- 607.1446
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.8781
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 199.8100
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6-Methoxy-7-O-Β-D-(4'-Methoxy)Glucopyrano-Syl Coumarin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
6-methoxy-7-o-β-d-(4'-methoxy)glucopyrano-syl coumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21872
Tcmbank
TCMBANKIN005024
Itcmdb Generated
ITX-INGREDIENT-39A1724B4C60
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)COC5=CC6=CC=CC=C6OC5=O)O)O)O)O
Version
v2
Suppress
0
Molecular Formula
C31H27O13+