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
- 6912
- Core Entity Id
- 10863
- Source Entity Count
- 1
- Preferred Name
- 5-epivibsanin g
- Name En
- Pubchem Id
- 10388101
- Smiles Canonical
- CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CCC(C(=C)C)O)CO)CC(=O)C)C
- Molecular Formula
- C25H36O6
- Molecular Weight
- 432.5570
- Inchikey
- HOUIWALHPPJDOP-CZRULFJLSA-N
- Inchi
- InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21+,22?,25-/m1/s1
- Isomeric Smiles
- CC(=CC(=O)O/C=C/[C@H]1[C@H](C(=O)C(=CC[C@]1(C)CCC(C(=C)C)O)CO)CC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8360
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.2350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-Epivibsanin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-epivibsanin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-epivibsanin g
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
Name
((E)-2-((1S,2S,7R)-5-(hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl)ethenyl) 3-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
((E)-2-((1S,2S,7R)-5-(hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl)ethenyl) 3-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
5-epi-vibsanin G
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-epi-vibsanin G
Role
alias
Source
HERB_v2
Preferred
No
Name
663903-97-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
663903-97-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL480093
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL480093
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香气荚蒾*XIANG QI JIA MISweet Viburnum*((E)-2-((1S,2S,7R)-5-(hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl)ethenyl) 3-methylbut-2-enoate5-epi-vibsanin G663903-97-7CHEMBL480093
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011535
Npass
NPC145666
Tcmid
7034
Pub Chem
10388101
Tcmbank
TCMBANKIN037336
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21+,22?,25-/m1/s1
Mol Wt
432.5570000000002
Mol Log P
3.836000000000003
In Ch Ikey
HOUIWALHPPJDOP-CZRULFJLSA-N
Tcm Name
香气荚蒾*
Tcm Name2
XIANG QI JIA MI
Mol2 Path
/TCM_database/2007_3d_all/07035.mol2
Reference
3004
Num Hdonors
2
Tcm Name En
Sweet Viburnum*
Drug Likeness
0.235
Num Hacceptors
6
Isomeric Smiles
CC(=CC(=O)O/C=C/[C@H]1[C@H](C(=O)C(=CC[C@]1(C)CCC(C(=C)C)O)CO)CC(=O)C)C
Canonical Smiles
CC(=CC(=O)OC=CC1C(C(=O)C(=CCC1(C)CCC(C(=C)C)O)CO)CC(=O)C)C
Herb Alias Names
5-epi-vibsanin G((E)-2-((1S,2S,7R)-5-(hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl)ethenyl) 3-methylbut-2-enoate[(E)-2-[(1S,2S,7R)-5-(hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoateCHEMBL480093663903-97-7
Molecular Weight
432.5 g/mol
Molecular Formula
C25H36O6
Num Rotatable Bonds
10