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
- 8342
- Core Entity Id
- 12442
- Source Entity Count
- 1
- Preferred Name
- 7-epi-neovibsanin d
- Name En
- Pubchem Id
- 11385697
- Smiles Canonical
- CC(=CC(=O)OC=CC1C(CC=C2C13C(CC(O3)(C)OC)OC2)(C)CC=CC(C)(C)OO)C
- Molecular Formula
- C26H38O7
- Molecular Weight
- 462.5830
- Inchikey
- DIEFFKCJCDUOGU-WLQATPCVSA-N
- Inchi
- InChI=1S/C26H38O7/c1-18(2)15-22(27)30-14-10-20-24(5,12-8-11-23(3,4)33-28)13-9-19-17-31-21-16-25(6,29-7)32-26(19,20)21/h8-11,14-15,20-21,28H,12-13,16-17H2,1-7H3/b11-8+,14-10+/t20-,21+,24+,25+,26-/m1/s1
- Isomeric Smiles
- CC(=CC(=O)O/C=C/[C@@H]1[C@@](CC=C2[C@]13[C@H](C[C@@](O3)(C)OC)OC2)(C)C/C=C/C(C)(C)OO)C
- Cas Id
- Ob Score
- Mol Logp
- 5.0971
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1340
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-epi-Neovibsanin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-epi-neovibsanin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-epi-neovibsanin d
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
Neovibsanin D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Neovibsanin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
日本荚蒾RI BEN JIA MIJapanese ViburnumNeovibsanin D
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013182HBIN036762
Npass
NPC190584NPC166604
Tcmid
1546415463
Pub Chem
1138569711340195
Tcmbank
TCMBANKIN038598TCMBANKIN045252
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H38O7/c1-18(2)15-22(27)30-14-10-20-24(5,12-8-11-23(3,4)33-28)13-9-19-17-31-21-16-25(6,29-7)32-26(19,20)21/h8-11,14-15,20-21,28H,12-13,16-17H2,1-7H3/b11-8+,14-10+/t20-,21+,24+,25+,26-/m1/s1
Mol Wt
462.5830000000003
Mol Log P
5.097100000000005
In Ch Ikey
DIEFFKCJCDUOGU-WLQATPCVSA-N
Tcm Name
日本荚蒾
Tcm Name2
RI BEN JIA MI
Mol2 Path
/TCM_database/2007_3d_all/15473.mol2
Reference
2530
Num Hdonors
1
Tcm Name En
Japanese Viburnum
Drug Likeness
0.134
Num Hacceptors
7
Isomeric Smiles
CC(=CC(=O)O/C=C/[C@@H]1[C@@](CC=C2[C@]13[C@H](C[C@@](O3)(C)OC)OC2)(C)C/C=C/C(C)(C)OO)C
Canonical Smiles
CC(=CC(=O)OC=CC1C(CC=C2C13C(CC(O3)(C)OC)OC2)(C)CC=CC(C)(C)OO)C
Molecular Weight
462.6 g/mol
Molecular Formula
C26H38O7
Num Rotatable Bonds
8