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
- 27478
- Core Entity Id
- 33729
- Source Entity Count
- 1
- Preferred Name
- Neovibsanin g
- Name En
- Pubchem Id
- 11188727
- Smiles Canonical
- CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(=C)C)C)C
- Molecular Formula
- C25H34O4
- Molecular Weight
- 398.5430
- Inchikey
- FJVYVOXCOKDRON-PILZABHWSA-N
- Inchi
- InChI=1S/C25H34O4/c1-15(2)11-23(27)28-10-8-21-24-20(14-29-22(24)12-17(5)26)19-13-25(21,6)9-7-18(19)16(3)4/h8,10-11,18-19,21-22H,3,7,9,12-14H2,1-2,4-6H3/b10-8+/t18-,19-,21-,22-,25-/m0/s1
- Isomeric Smiles
- CC(=CC(=O)O/C=C/[C@H]1C2=C(CO[C@H]2CC(=O)C)[C@H]3C[C@@]1(CC[C@H]3C(=C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.3125
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.2630
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Neovibsanin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Neovibsanin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Neovibsanin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
日本荚蒾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN JIA MI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Viburnum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
[(E)-2-[(1S,5S,7R,8S,11R)-8-Methyl-5-(2-oxopropyl)-11-prop-1-en-2-yl-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(E)-2-[(1S,5S,7R,8S,11R)-8-Methyl-5-(2-oxopropyl)-11-prop-1-en-2-yl-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
14-epi-Neovibsanin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-epi-neovibsanin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
日本荚蒾RI BEN JIA MIJapanese Viburnum[(E)-2-[(1S,5S,7R,8S,11R)-8-Methyl-5-(2-oxopropyl)-11-prop-1-en-2-yl-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate14-epi-Neovibsanin G
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036763HBIN001453
Npass
NPC256298NPC17976
Tcmid
1546515466
Pub Chem
1118872711188728
Tcmbank
TCMBANKIN039087TCMBANKIN037259
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H34O4/c1-15(2)11-23(27)28-10-8-21-24-20(14-29-22(24)12-17(5)26)19-13-25(21,6)9-7-18(19)16(3)4/h8,10-11,18-19,21-22H,3,7,9,12-14H2,1-2,4-6H3/b10-8+/t18-,19-,21-,22-,25-/m0/s1
Mol Wt
398.5430000000002
Mol Log P
5.312500000000005
In Ch Ikey
FJVYVOXCOKDRON-PILZABHWSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/15474.mol2
Reference
2530
Num Hdonors
0
Tcm Name En
Japanese Viburnum
Drug Likeness
0.263
Num Hacceptors
4
Isomeric Smiles
CC(=CC(=O)O/C=C/[C@H]1C2=C(CO[C@H]2CC(=O)C)[C@H]3C[C@@]1(CC[C@H]3C(=C)C)C)C
Canonical Smiles
CC(=CC(=O)OC=CC1C2=C(COC2CC(=O)C)C3CC1(CCC3C(=C)C)C)C
Herb Alias Names
[(E)-2-[(1S,5S,7R,8S,11R)-8-Methyl-5-(2-oxopropyl)-11-prop-1-en-2-yl-4-oxatricyclo[6.3.1.02,6]dodec-2(6)-en-7-yl]ethenyl] 3-methylbut-2-enoate
Molecular Weight
398.5 g/mol
Molecular Formula
C25H34O4
Num Rotatable Bonds
6