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
- 5646
- Core Entity Id
- 9465
- Source Entity Count
- 1
- Preferred Name
- 4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
- Name En
- Pubchem Id
- 44257359
- Smiles Canonical
- COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
- Molecular Formula
- C18H14O7
- Molecular Weight
- 342.3030
- Inchikey
- MIBAZEBIDCWHGM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O7/c1-21-12-4-3-9(5-11(12)19)10-7-23-13-6-14-17(25-8-24-14)18(22-2)15(13)16(10)20/h3-7,19H,8H2,1-2H3
- Isomeric Smiles
- COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9115
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4',5-dimethoxy-3-hydroxy-6,7-methylenedioxy-isoflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
69618-04-8
Role
alias
Source
HERB_v2
Preferred
No
Name
69618-04-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-(3-hydroxy-4-methoxyphenyl)-9-methoxy-(1,3)dioxolo(4,5-g)chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(3-hydroxy-4-methoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iriskumaonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iriskumaonin
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12050405
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12050405
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone69618-04-87-(3-hydroxy-4-methoxyphenyl)-9-methoxy-(1,3)dioxolo(4,5-g)chromen-8-one7-(3-hydroxy-4-methoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-oneIriskumaoninLMPK12050405
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010027
Npass
NPC80273
Tcmid
6247
Pub Chem
44257359
Tcmbank
TCMBANKIN026368
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O7/c1-21-12-4-3-9(5-11(12)19)10-7-23-13-6-14-17(25-8-24-14)18(22-2)15(13)16(10)20/h3-7,19H,8H2,1-2H3
Mol Wt
342.3030000000001
Smiles
COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
Mol Log P
2.911500000000001
In Ch Ikey
MIBAZEBIDCWHGM-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.783
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
Canonical Smiles
COC1=C(C=C(C=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O
Herb Alias Names
Iriskumaonin3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone7-(3-hydroxy-4-methoxyphenyl)-9-methoxy-(1,3)dioxolo(4,5-g)chromen-8-one7-(3-hydroxy-4-methoxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-oneLMPK1205040569618-04-8
Molecular Formula
C18H14O7
Molecular Formula
C18H14O7
Num Rotatable Bonds
3