IngredientID 3492
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-beta-d-glucopyranoside
C22H20O12
Relationship Network
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Herb: 1Ingredient: 1Target: 1Links: 2
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3492
- Core Entity Id
- 7067
- Source Entity Count
- 1
- Preferred Name
- 3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-beta-d-glucopyranoside
- Name En
- Pubchem Id
- 14542804
- Smiles Canonical
- C1OC2=C(O1)C(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)CO)O)O)O)C5=CC=C(C=C5)O)O
- Molecular Formula
- C22H20O12
- Molecular Weight
- 476.4000
- Inchikey
- PEBSHTGUNSXVEZ-OOVDEOTFSA-N
- Inchi
- InChI=1S/C22H20O12/c23-6-12-14(25)17(28)18(29)22(33-12)34-21-16(27)13-10(5-11-20(15(13)26)31-7-30-11)32-19(21)8-1-3-9(24)4-2-8/h1-5,12,14,17-18,22-26,28-29H,6-7H2/t12-,14-,17+,18-,22+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 3.2710
- Mol Logp
- 0.9000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 185.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-β-d-glucopyranoside
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-β-d-glucopyranoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-β-d-glucopyranoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007537
Tcmid
21783
Tcmsp
MOL011097
Sym Map
SMIT12045
Attributes
Merged source attributes and domain-specific metadata.
Ob Score
3.271
Herb Alias Names
3,5,4'-trihydroxy-6,7-methylenedioxyflavone-3-o-β-d-glucopyranoside