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
- 36084
- Core Entity Id
- 43299
- Source Entity Count
- 1
- Preferred Name
- Ugonin a
- Name En
- Pubchem Id
- 5322188
- Smiles Canonical
- CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC2)C
- Molecular Formula
- C25H26O6
- Molecular Weight
- 422.4770
- Inchikey
- NKZVXBLXJXFAAZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H26O6/c1-25(2)7-3-4-14-12-30-22-11-20(29)23-19(28)10-21(13-5-6-17(26)18(27)8-13)31-24(23)15(22)9-16(14)25/h5-6,8,10-11,14,16,26-27,29H,3-4,7,9,12H2,1-2H3
- Isomeric Smiles
- CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC2)C
- Cas Id
- 50982-42-8
- Ob Score
- Mol Logp
- 4.9542
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ugonin a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ugonin a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
SCHEMBL19665258
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19665258
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
SCHEMBL19665258
Cross References
Trusted external identifiers retained for this final record.
Cas
50982-42-8
Herb
HBIN047460
Npass
NPC42313
Tcmid
22158
Tcm Id
296
Pub Chem
5322188
Tcmbank
TCMBANKIN030009
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H26O6/c1-25(2)7-3-4-14-12-30-22-11-20(29)23-19(28)10-21(13-5-6-17(26)18(27)8-13)31-24(23)15(22)9-16(14)25/h5-6,8,10-11,14,16,26-27,29H,3-4,7,9,12H2,1-2H3
Mol Wt
422.4770000000001
Cas Id
50982-42-8
Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC2)C
Mol Log P
4.954200000000006
In Ch Ikey
NKZVXBLXJXFAAZ-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.48
Num Hacceptors
6
Isomeric Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC2)C
Canonical Smiles
CC1(CCCC2C1CC3=C(C=C(C4=C3OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)OC2)C
Herb Alias Names
SCHEMBL19665258
Molecular Weight
422.47
Molecular Formula
C25H26O6
Molecular Formula
C25H26O6
Num Rotatable Bonds
1