Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 9Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22641
- Core Entity Id
- 28351
- Source Entity Count
- 1
- Preferred Name
- Isogosferol
- Name En
- Pubchem Id
- 148619
- Smiles Canonical
- CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.2830
- Inchikey
- RTUPRHIHXSAWDP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
- Isomeric Smiles
- CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
- Cas Id
- 53319-52-1
- Ob Score
- 30.0725
- Mol Logp
- 2.8550
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5890
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isogosferol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isogosferol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isogosferol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isogosferol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
isogosferol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
53319-52-1
Role
alias
Source
HERB_v2
Preferred
No
Name
53319-52-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
53319-52-1
Role
alias
Source
TCMBank
Preferred
No
Name
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-((2-hydroxy-3-methyl-3-butenyl)oxy)-
Role
alias
Source
TCMBank
Preferred
No
Name
9-((2-Hydroxy-3-methyl-3-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
Role
alias
Source
TCMBank
Preferred
No
Name
9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one
Role
alias
Source
HERB_v2
Preferred
No
Name
9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
AC1L3XHE
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS032948613
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL5267763
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5267763
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
Role
alias
Source
TCMBank
Preferred
No
Name
Isogosferol
Role
alias
Source
TCMBank
Preferred
No
Name
Isogospherol
Role
alias
Source
TCMBank
Preferred
No
Name
Isogospherol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isogospherol
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000940
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000940
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000940
Role
alias
Source
itcmdb_public
Preferred
No
Name
RTUPRHIHXSAWDP-UHFFFAOYSA-
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2468855
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL2468855
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL2468855
Role
alias
Source
itcmdb_public
Preferred
No
Name
starbld0006475
Role
alias
Source
HERB_v2
Preferred
No
Name
starbld0006475
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
53319-52-17H-Furo(3,2-g)(1)benzopyran-7-one, 9-((2-hydroxy-3-methyl-3-butenyl)oxy)-9-((2-Hydroxy-3-methyl-3-butenyl)oxy)-7H-furo(3,2-g)(1)benzopyran-7-one9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one9-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-one9-[(2-HYDROXY-3-METHYLBUT-3-EN-1-YL)OXY]FURO[3,2-G]CHROMEN-7-ONEAC1L3XHEAKOS032948613CHEMBL5267763InChI=1/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3IsogospherolMEGxp0_000940RTUPRHIHXSAWDP-UHFFFAOYSA-SCHEMBL2468855starbld0006475
Cross References
Trusted external identifiers retained for this final record.
Cas
53319-52-1
Herb
HBIN030780
Npass
NPC215722
Tcmid
11442
Tcmsp
MOL003617
Sym Map
SMIT00537
Pub Chem
148619
Tcmbank
TCMBANKIN029503
Etcm Ingredient
Isogosferol
Itcmdb Generated
ITX-INGREDIENT-417F82CB2703
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-14-11(5-6-19-14)7-10-3-4-13(18)21-15(10)16/h3-7,12,17H,1,8H2,2H3
Mol Wt
286.283
Cas Id
53319-52-1
Smiles
CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
Mol Log P
2.855000000000002
Version
v1,v2
In Ch Ikey
RTUPRHIHXSAWDP-UHFFFAOYSA-N
Ob Score
30.07253230.072532330.073
Suppress
0
Num Hdonors
1
Drug Likeness
0.589
Num Hacceptors
5
Isomeric Smiles
CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
Molecule Weight
286.3
Canonical Smiles
CC(=C)C(COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)O
Herb Alias Names
53319-52-19-(2-hydroxy-3-methylbut-3-enoxy)furo[3,2-g]chromen-7-oneIsogospherol9-((2-Hydroxy-3-methylbut-3-en-1-yl)oxy)-7H-furo[3,2-g]chromen-7-one(+)-Isogospherolstarbld0006475MEGxp0_000940SCHEMBL2468855CHEMBL5267763
Molecular Weight
286.080
Molecular Weight
286.28
Molecule Formula
C16H14O5
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.704
Quantitative Estimate Of Drug Likeness（Qed）
0.589