Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22263
- Core Entity Id
- 27930
- Source Entity Count
- 1
- Preferred Name
- Iriflogenin
- Name En
- Pubchem Id
- 11723995
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4)O
- Molecular Formula
- C17H12O7
- Molecular Weight
- 328.2760
- Inchikey
- XSPWJJMLMZGHNF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H12O7/c1-21-11-4-8(2-3-10(11)18)9-6-22-12-5-13-17(24-7-23-13)16(20)14(12)15(9)19/h2-6,18,20H,7H2,1H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6085
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Iriflogenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Iriflogenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Iriflogenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Iriflogenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
卷鞘鸢尾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JUAN QIAO YUAN WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Potanin Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
52591-11-4
Role
alias
Source
HERB_v2
Preferred
No
Name
52591-11-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-325701
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-325701
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601318214
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID601318214
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
卷鞘鸢尾JUAN QIAO YUAN WEIPotanin Larkspur52591-11-49-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-oneDB-325701DTXSID601318214
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030297
Npass
NPC62345
Tcmid
11149
Pub Chem
11723995
Tcmbank
TCMBANKIN043885
Etcm Ingredient
Iriflogenin
Itcmdb Generated
ITX-INGREDIENT-D39C64CF25BB
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H12O7/c1-21-11-4-8(2-3-10(11)18)9-6-22-12-5-13-17(24-7-23-13)16(20)14(12)15(9)19/h2-6,18,20H,7H2,1H3
Mol Wt
328.276
Mol Log P
2.608500000000001
In Ch Ikey
XSPWJJMLMZGHNF-UHFFFAOYSA-N
Tcm Name
卷鞘鸢尾
Tcm Name2
JUAN QIAO YUAN WEI
Mol2 Path
/TCM_database/2007_3d_all/11152.mol2
Reference
4235, 5347
Num Hdonors
2
Tcm Name En
Potanin Larkspur
Drug Likeness
0.746
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)O)OCO4)O
Herb Alias Names
52591-11-49-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-one9-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-oneDTXSID601318214DB-325701
Molecular Weight
328.060
Molecular Weight
328.27 g/mol
Molecular Formula
C17H12O7
Molecular Formula
C17H12O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.095
Quantitative Estimate Of Drug Likeness（Qed）
0.746