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
- 17604
- Core Entity Id
- 22738
- Source Entity Count
- 1
- Preferred Name
- Dracunculifoside o
- Name En
- Pubchem Id
- 101165805
- Smiles Canonical
- C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
- Molecular Formula
- C23H26O9
- Molecular Weight
- 446.4520
- Inchikey
- RKIHMLSCEMCJIY-BKHXUGAZSA-N
- Inchi
- InChI=1S/C23H26O9/c24-16-8-6-15(12-17(16)25)7-9-19(26)31-13-18-20(27)21(28)22(29)23(32-18)30-11-10-14-4-2-1-3-5-14/h1-9,12,18,20-25,27-29H,10-11,13H2/b9-7+/t18-,20-,21+,22-,23-/m1/s1
- Isomeric Smiles
- C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7211
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dracunculifoside O
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dracunculifoside o
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dracunculifoside o
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
小龙叶阔苞菊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO LONG YE KUO BAO JU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Dracunculi-leaf Pluchea*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小龙叶阔苞菊XIAO LONG YE KUO BAO JUDracunculi-leaf Pluchea*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024483
Tcmid
6593
Pub Chem
101165805
Tcmbank
TCMBANKIN049141
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H26O9/c24-16-8-6-15(12-17(16)25)7-9-19(26)31-13-18-20(27)21(28)22(29)23(32-18)30-11-10-14-4-2-1-3-5-14/h1-9,12,18,20-25,27-29H,10-11,13H2/b9-7+/t18-,20-,21+,22-,23-/m1/s1
Mol Wt
446.4520000000001
Mol Log P
0.7210999999999994
In Ch Ikey
RKIHMLSCEMCJIY-BKHXUGAZSA-N
Tcm Name
小龙叶阔苞菊
Tcm Name2
XIAO LONG YE KUO BAO JU
Mol2 Path
/TCM_database/2007_3d_all/06594.mol2
Reference
4184
Num Hdonors
5
Tcm Name En
Dracunculi-leaf Pluchea*
Drug Likeness
0.225
Num Hacceptors
9
Isomeric Smiles
C1=CC=C(C=C1)CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)O)O
Canonical Smiles
C1=CC=C(C=C1)CCOC2C(C(C(C(O2)COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O)O
Molecular Weight
446.4 g/mol
Molecular Formula
C23H26O9
Num Rotatable Bonds
8