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
- 36089
- Core Entity Id
- 43304
- Source Entity Count
- 1
- Preferred Name
- Ugonin d
- Name En
- Pubchem Id
- 5315116
- Smiles Canonical
- CC1C(C2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)(C)C
- Molecular Formula
- C20H20O5
- Molecular Weight
- 340.3750
- Inchikey
- KITUBOBTRYFYBY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-14(23)17-13(22)8-15(25-19(17)18)11-4-6-12(21)7-5-11/h4-7,9-10,15,21,23H,8H2,1-3H3
- Isomeric Smiles
- CC1C(C2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)(C)C
- Cas Id
- 50868-49-0
- Ob Score
- Mol Logp
- 3.8628
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8240
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ugonin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ugonin d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3,8,9-Tetrahydro-5-hydroxy-2-(4-hydroxyphenyl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,8,9-Tetrahydro-5-hydroxy-2-(4-hydroxyphenyl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
50868-49-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
50868-49-0
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-260281
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-260281
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19665249
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19665249
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,3,8,9-Tetrahydro-5-hydroxy-2-(4-hydroxyphenyl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one50868-49-0DB-260281SCHEMBL19665249
Cross References
Trusted external identifiers retained for this final record.
Cas
50868-49-0
Herb
HBIN047465
Npass
NPC191660
Tcmid
22161
Tcm Id
293
Pub Chem
5315116
Tcmbank
TCMBANKIN012613
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O5/c1-10-20(2,3)18-16(24-10)9-14(23)17-13(22)8-15(25-19(17)18)11-4-6-12(21)7-5-11/h4-7,9-10,15,21,23H,8H2,1-3H3
Mol Wt
340.375
Cas Id
50868-49-0
Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)(C)C
Mol Log P
3.862800000000004
In Ch Ikey
KITUBOBTRYFYBY-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.824
Num Hacceptors
5
Isomeric Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)(C)C
Canonical Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(CC3=O)C4=CC=C(C=C4)O)O)(C)C
Herb Alias Names
50868-49-0SCHEMBL19665249DB-2602812,3,8,9-Tetrahydro-5-hydroxy-2-(4-hydroxyphenyl)-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one
Molecular Weight
340.37
Molecular Formula
C20H20O5
Molecular Formula
C20H20O5
Num Rotatable Bonds
1