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
- 36087
- Core Entity Id
- 43302
- Source Entity Count
- 1
- Preferred Name
- Ugonin c
- Name En
- Pubchem Id
- 5315115
- Smiles Canonical
- CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
- Molecular Formula
- C21H20O6
- Molecular Weight
- 368.3850
- Inchikey
- QJGHPSMBMKFFEE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H20O6/c1-10-21(2,3)16-14(26-10)9-13(23)15-17(24)20(25-4)18(27-19(15)16)11-5-7-12(22)8-6-11/h5-10,22-23H,1-4H3
- Isomeric Smiles
- CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9383
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ugonin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ugonin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-uro[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-uro[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
50868-48-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
50868-48-9
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:197166
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:197166
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-257311
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-257311
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112680
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12112680
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19665235
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19665235
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-uro[2,3-h]chromen-4-one50868-48-9CHEBI:197166DB-257311LMPK12112680SCHEMBL19665235
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047463
Npass
NPC190578
Tcmid
22160
Pub Chem
5315115
Tcmbank
TCMBANKIN028918
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H20O6/c1-10-21(2,3)16-14(26-10)9-13(23)15-17(24)20(25-4)18(27-19(15)16)11-5-7-12(22)8-6-11/h5-10,22-23H,1-4H3
Mol Wt
368.385
Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
Mol Log P
3.938300000000003
In Ch Ikey
QJGHPSMBMKFFEE-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.712
Num Hacceptors
6
Isomeric Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
Canonical Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)OC)C4=CC=C(C=C4)O)O)(C)C
Herb Alias Names
50868-48-95-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-oneSCHEMBL19665235CHEBI:197166LMPK12112680DB-2573115-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-8H-uro[2,3-h]chromen-4-one(-)-8,9-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Molecular Weight
368.4 g/mol
Molecular Formula
C21H20O6
Molecular Formula
C21H20O6
Num Rotatable Bonds
2