Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 9Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1507
- Core Entity Id
- 4864
- Source Entity Count
- 1
- Preferred Name
- Ginsenoside rf
- Name En
- Pubchem Id
- 441922
- 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])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([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@@]([H])([C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O5)[C@@]([H]) (O[H])[C@]([H])(O[H])[C@@]6([H])C([H])([H])O[H])O6)[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
- Molecular Formula
- C42H72O14
- Molecular Weight
- 801.0240
- Inchikey
- UZIOUZHBUYLDHW-XUBRWZAZSA-N
- Inchi
- InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
- Isomeric Smiles
- CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C
- Cas Id
- 52286-58-5
- Ob Score
- 15.3270
- Mol Logp
- 1.1198
- Num H Donors
- 10
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 10
- Drug Likeness
- 0.1100
- Polar Surface Area
- 239.0000
- Molecular Volume
- 561.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-alpha,3-beta,12-beta,20(S)-3-Hydroxydammar-24-en-20-O--beta-D-glucopyranoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha,3beta,12beta,20(s)-3-hydroxydammar-24-en-20-o-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2alpha,3beta,12beta,20(s)-3-hydroxydammar-24-en-20-o-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside Rf
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside rf
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside rf
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-Rf
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside-Rf
Role
preferred
Source
TCMBank
Preferred
Yes
Name
三七
Role
TCM_name
Source
TCMBank
Preferred
No
Name
珠子蔘;竹节蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
西洋参;人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XI YANG SHEN;REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
珠子蔘 Panax japonicus
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
American Ginseng;Ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax bipinnatifidum Seem.;Panax japonicus C. A. Mey.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Panax notoginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
2α,3β,12β,20(s)-3-hydroxydammar-24-en-20-o-β-d-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
52286-58-5
Role
alias
Source
HERB_v2
Preferred
No
Name
52286-58-5
Role
alias
Source
TCMBank
Preferred
No
Name
52286-58-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
C08945
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:67986
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:67986
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90904205
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90904205
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside Rf
Role
alias
Source
HERB_v2
Preferred
No
Name
JOS8BON5YW
Role
alias
Source
itcmdb_public
Preferred
No
Name
JOS8BON5YW
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00210509
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00210509
Role
alias
Source
HERB_v2
Preferred
No
Name
Panaxoside RF
Role
alias
Source
HERB_v2
Preferred
No
Name
Panaxoside RF
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-JOS8BON5YW
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-JOS8BON5YW
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside r f
Role
alias
Source
TCMBank
Preferred
No
Name
ginsenoside-rf
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
7.止血药(25-26)
Role
level1_name
Source
TCMBank
Preferred
No
Name
hemostatic medicinal
Role
level1_name_en
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
2.化瘀止血药(5-5)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
stasis-resolving hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-alpha,3-beta,12-beta,20(S)-3-Hydroxydammar-24-en-20-O--beta-D-glucopyranoside2alpha,3beta,12beta,20(s)-3-hydroxydammar-24-en-20-o-beta-d-glucopyranosideGinsenoside-Rf三七珠子蔘;竹节蔘西洋参;人参XI YANG SHEN;REN SHEN珠子蔘 Panax japonicusAmerican Ginseng;GinsengPanax bipinnatifidum Seem.;Panax japonicus C. A. Mey.Panax notoginseng(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methyl-hept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(1S)-1-hydroxy-1,5-dimethylhex-4-enyl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-2α,3β,12β,20(s)-3-hydroxydammar-24-en-20-o-β-d-glucopyranoside52286-58-5C08945CHEBI:67986DTXSID90904205JOS8BON5YWMFCD00210509Panaxoside RFUNII-JOS8BON5YWginsenoside r f13.补虚药(60-62)7.止血药(25-26)hemostatic medicinaltonifying and replenishing medicinal1.补气药(15-15)2.化瘀止血药(5-5)qi-tonifying medicinalstasis-resolving hemostatic medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
52286-58-5
Hit
C0699
Herb
HBIN005190HBIN027745
Npass
NPC153817NPC245280
Tcmid
232022571184289957
Tcmsp
MOL007481MOL011400
Sym Map
SMIT00270SMIT02574SMIT18945
Tcm Id
1474219122191234034
Pub Chem
4419226441008
Tcmbank
TCMBANKIN041672TCMBANKIN051290TCMBANKIN051621TCMBANKIN058860
Etcm Ingredient
2-alpha,3-beta,12-beta,20(S)-3-Hydroxydammar-24-en-20-O--beta-D-glucopyranosideGinsenoside-Rfginsenoside Rf
Itcmdb Generated
ITX-INGREDIENT-058B56741CB5ITX-INGREDIENT-39294420C08EITX-INGREDIENT-728A95E7F80DITX-INGREDIENT-C624855C38D2ITX-INGREDIENT-CC758C27E4FA
Attributes
Merged source attributes and domain-specific metadata.
Alog P
1
In Ch I
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-37-34(32(50)30(48)25(19-44)55-37)56-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
Mol Wt
801.0240000000007
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])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([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@@]([H])([C@]([H])(O[C@@]5([H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(C([H])([H])O[H])O5)[C@@]([H])
(O[H])[C@]([H])(O[H])[C@@]6([H])C([H])([H])O[H])O6)[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]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])(O[H])C([H])([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[C@@]6([H])O[C@@]([H])(C([H])([H])O[H]
)[C@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]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])[H])(O[H])C([H])([H])C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([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@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]5([H])O[H])[C@]5([H])O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@
@]([H])(O[H])[C@]6([H])O[H])[C@]6([H])O[H])[C@]4([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C
37 Flag
37
C Count
42
Mol Log P
1.119800000000002
N Count
0
O Count
14
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
UZIOUZHBUYLDHW-XUBRWZAZSA-N
Ob Score
15.32715.32745315.32745324
Suppress
1
Tcm Name
三七珠子蔘;竹节蔘西洋参;人参
Tcm Name2
XI YANG SHEN;REN SHEN珠子蔘 Panax japonicus
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/珠子蔘/珠子蔘 Panax japonicus/structure/3D/Ginsenoside Rf.mol2/TCM_database/2003_3d_all/3370.mol2/TCM_database/7.止血药(25-26)/2.化瘀止血药(5-5)/三七/structure/ginsenoside Rf.mol2
Reference
4, 87, 6584, 87, 658, 5474, 5508
Num Hdonors
10
Tcm Name En
American Ginseng;Ginseng Panax bipinnatifidum Seem.;Panax japonicus C. A. Mey.Panax notoginseng
Level1 Name
13.补虚药(60-62)7.止血药(25-26)
Level2 Name
1.补气药(15-15)2.化瘀止血药(5-5)
Num H Donors
10
Drug Likeness
0.11
Num Hacceptors
14
Level1 Name En
hemostatic medicinaltonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinalstasis-resolving hemostatic medicinal
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(C[C@@H]([C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)O)C)O)C
Molecule Weight
801.14
Num H Acceptors
14
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)O)C)O)C
Herb Alias Names
Ginsenoside Rf52286-58-5Panaxoside RFginsenoside-rfJOS8BON5YWUNII-JOS8BON5YWCHEBI:67986MFCD00210509(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolDTXSID90904205
Molecular Weight
784.500800.490
Molecular Volume
561570
Molecular Weight
801801.01
Molecule Formula
C42H72O14
Molecular Formula
C42H72O13C42H72O14
Molecular Formula
C42H72O14
Molecular Formula
C42H72O14
Num Rotatable Bonds
10
Link Ingredient Id
270.0
Num Rotatable Bonds
10
Molecular Polar Surface Area
239
Fda Maximum Daily Dose (Fdamdd)
0.0050.0120.057
Quantitative Estimate Of Drug Likeness（Qed）
0.1100.115