Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 45920
- Core Entity Id
- 88931
- Source Entity Count
- 1
- Preferred Name
- Ginsenoside Rk3
- Name En
- Pubchem Id
- 75412555
- Smiles Canonical
- C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])(C(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=C([H])[H])C([H])([H])C2([H])[H ])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]4([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@ ]1([H])O[H]
- Molecular Formula
- C36H60O8
- Molecular Weight
- 621.0000
- Inchikey
- AVXFIVJSCUOFNT-QXPABTKOSA-N
- Inchi
- InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10,21-32,37-42H,3,9,11-18H2,1-2,4-8H3/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 140.0000
- Molecular Volume
- 458.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ginsenoside Rk3
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Rk3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside Rk3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ginsenoside Rk3
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
人蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Panax ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
人蔘Panax ginseng13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24140
Pub Chem
75412555
Tcmbank
TCMBANKIN019969
Etcm Ingredient
Ginsenoside Rk3
Itcmdb Generated
ITX-INGREDIENT-2D8D2A90C1F9ITX-INGREDIENT-8C6A4538B555ITX-INGREDIENT-B7D01D36A7F2
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Alog P
4
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])[C@@]([H])(O[H])[C@]([H])([C@@]([H])(C(C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])=C([H])[H])C([H])([H])C2([H])[H
])[C@@]23C([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]4([H])O[C@@]5([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]5([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@
]1([H])O[H]
37 Flag
37
C Count
36
N Count
0
O Count
8
P Count
0
S Count
0
Version
v2
Suppress
0
Tcm Name
人蔘
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/Ginsenoside Rk3.mol2
Tcm Name En
Panax ginseng
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
6
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Num H Acceptors
8
Molecular Weight
620.430
Molecular Volume
458
Molecular Weight
621
Molecule Formula
C36H60O8
Molecular Formula
C36H60O8
Molecular Formula
C36H60O8
Num Rotatable Bonds
7
Molecular Polar Surface Area
140
Fda Maximum Daily Dose (Fdamdd)
0.397
Quantitative Estimate Of Drug Likeness（Qed）
0.185