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
- 62788
- Core Entity Id
- 109806
- Source Entity Count
- 1
- Preferred Name
- 3-Hydroxy-9-Methoxycoumestan
- Name En
- Pubchem Id
- 5319565
- Smiles Canonical
- COC1=CC2=C(C=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O
- Molecular Formula
- C16H10O5
- Molecular Weight
- 282.2500
- Inchikey
- HHEZPZWGHDOWCQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H10O5/c1-19-9-3-5-10-13(7-9)20-15-11-4-2-8(17)6-12(11)21-16(18)14(10)15/h2-7,17H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 68.9000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Hydroxy-9-Methoxycoumestan
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Hydroxy-9-Methoxycoumestan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21151
Itcmdb Generated
ITX-INGREDIENT-901C48F14BC3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0