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
- 7067
- Core Entity Id
- 11036
- Source Entity Count
- 1
- Preferred Name
- 5-methoxy-4'-hydroxy-6,7-methylenedioxyiso-flavone
- Name En
- Pubchem Id
- 165103
- Smiles Canonical
- COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
- Molecular Formula
- C17H12O6
- Molecular Weight
- 312.2770
- Inchikey
- RSSZOUXCQUJNKL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-11(15(14)19)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
- Isomeric Smiles
- COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9029
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methoxy-4'-hydroxy-6,7-methylenedioxyiso-flavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methoxy-4'-hydroxy-6,7-methylenedioxyiso-flavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
5-methoxy-4'-hydroxy-6,7-methylenedioxyiso-flavone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
076B48W589
Role
alias
Source
HERB_v2
Preferred
No
Name
076B48W589
Role
alias
Source
itcmdb_public
Preferred
No
Name
3301-68-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
3301-68-6
Role
alias
Source
HERB_v2
Preferred
No
Name
4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
4'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
7-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50186646
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50186646
Role
alias
Source
itcmdb_public
Preferred
No
Name
IRISOLONE [MI]
Role
alias
Source
HERB_v2
Preferred
No
Name
IRISOLONE [MI]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Irisolone
Role
alias
Source
HERB_v2
Preferred
No
Name
Irisolone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nigricin
Role
alias
Source
HERB_v2
Preferred
No
Name
Nigricin
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-076B48W589
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-076B48W589
Role
alias
Source
itcmdb_public
Preferred
No
Name
4',5-dihydroxy-6,7-methylenedioxyisoflavone; 5-me ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
076B48W5893301-68-64'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone7-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-DTXSID50186646IRISOLONE [MI]IrisoloneNigricinUNII-076B48W5894',5-dihydroxy-6,7-methylenedioxyisoflavone; 5-me ether
Cross References
Trusted external identifiers retained for this final record.
Cas
3301-68-6
Herb
HBIN011736HBIN010015
Npass
NPC62518
Tcmid
13957
Tcm Id
7916
Pub Chem
165103
Tcmbank
TCMBANKIN012514TCMBANKIN030765
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-11(15(14)19)9-2-4-10(18)5-3-9/h2-7,18H,8H2,1H3
Mol Wt
312.277
Smiles
COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
Mol Log P
2.902900000000001
In Ch Ikey
RSSZOUXCQUJNKL-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.784
Num Hacceptors
6
Isomeric Smiles
COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
Canonical Smiles
COC1=C2C(=CC3=C1OCO3)OC=C(C2=O)C4=CC=C(C=C4)O
Herb Alias Names
IrisoloneNigricin3301-68-64'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavoneUNII-076B48W589IRISOLONE [MI]DTXSID501866467-(4-hydroxyphenyl)-9-methoxy-[1,3]dioxolo[4,5-g]chromen-8-one8H-1,3-Dioxolo(4,5-g)(1)benzopyran-8-one, 7-(4-hydroxyphenyl)-9-methoxy-076B48W589
Molecular Weight
312.27
Molecular Formula
C17H12O6
Molecular Formula
C17H12O6
Num Rotatable Bonds
2