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
- 10041
- Core Entity Id
- 14327
- Source Entity Count
- 1
- Preferred Name
- Aldovibsanin b
- Name En
- Pubchem Id
- 15382196
- Smiles Canonical
- CC1=C(C2C(C1)C(=O)C(=CCC2(C)CCC=C(C)C)CO)C=O
- Molecular Formula
- C20H28O3
- Molecular Weight
- 316.4410
- Inchikey
- NTTSLVFCLFHQOQ-HQRMLTQVSA-N
- Inchi
- InChI=1S/C20H28O3/c1-13(2)6-5-8-20(4)9-7-15(11-21)19(23)16-10-14(3)17(12-22)18(16)20/h6-7,12,16,18,21H,5,8-11H2,1-4H3/t16-,18+,20-/m0/s1
- Isomeric Smiles
- CC1=C([C@H]2[C@H](C1)C(=O)C(=CC[C@]2(C)CCC=C(C)C)CO)C=O
- Cas Id
- Ob Score
- Mol Logp
- 3.7821
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6200
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Aldovibsanin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Aldovibsanin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aldovibsanin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
香气荚蒾*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG QI JIA MI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sweet Viburnum*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香气荚蒾*XIANG QI JIA MISweet Viburnum*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015106
Npass
NPC72786
Tcmid
881
Pub Chem
15382196
Tcmbank
TCMBANKIN039248
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28O3/c1-13(2)6-5-8-20(4)9-7-15(11-21)19(23)16-10-14(3)17(12-22)18(16)20/h6-7,12,16,18,21H,5,8-11H2,1-4H3/t16-,18+,20-/m0/s1
Mol Wt
316.441
Mol Log P
3.782100000000002
In Ch Ikey
NTTSLVFCLFHQOQ-HQRMLTQVSA-N
Tcm Name
香气荚蒾*
Tcm Name2
XIANG QI JIA MI
Mol2 Path
/TCM_database/2007_3d_all/00881.mol2
Reference
3004
Num Hdonors
1
Tcm Name En
Sweet Viburnum*
Drug Likeness
0.62
Num Hacceptors
3
Isomeric Smiles
CC1=C([C@H]2[C@H](C1)C(=O)C(=CC[C@]2(C)CCC=C(C)C)CO)C=O
Canonical Smiles
CC1=C(C2C(C1)C(=O)C(=CCC2(C)CCC=C(C)C)CO)C=O
Molecular Weight
316.4 g/mol
Molecular Formula
C20H28O3
Num Rotatable Bonds
5