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
- 36086
- Core Entity Id
- 43301
- Source Entity Count
- 1
- Preferred Name
- Ugonin b
- Name En
- Pubchem Id
- 5315114
- Smiles Canonical
- CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC2)C
- Molecular Formula
- C26H28O6
- Molecular Weight
- 436.5040
- Inchikey
- BEKKBGJECYLADF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H28O6/c1-26(2)8-4-5-15-13-31-22-12-20(29)24-19(28)11-21(32-25(24)16(22)10-17(15)26)14-6-7-18(27)23(9-14)30-3/h6-7,9,11-12,15,17,27,29H,4-5,8,10,13H2,1-3H3
- Isomeric Smiles
- CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC2)C
- Cas Id
- Ob Score
- Mol Logp
- 5.2572
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ugonin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ugonin b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL19665246
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19665246
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL19665246
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047462
Npass
NPC81305
Tcmid
22159
Pub Chem
5315114
Tcmbank
TCMBANKIN017276
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H28O6/c1-26(2)8-4-5-15-13-31-22-12-20(29)24-19(28)11-21(32-25(24)16(22)10-17(15)26)14-6-7-18(27)23(9-14)30-3/h6-7,9,11-12,15,17,27,29H,4-5,8,10,13H2,1-3H3
Mol Wt
436.5040000000002
Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC2)C
Mol Log P
5.257200000000006
In Ch Ikey
BEKKBGJECYLADF-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.57
Num Hacceptors
6
Isomeric Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC2)C
Canonical Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC2)C
Herb Alias Names
SCHEMBL19665246
Molecular Weight
436.5 g/mol
Molecular Formula
C26H28O6
Molecular Formula
C26H28O6
Num Rotatable Bonds
2