ITCMDBv1
IngredientID 2735

Ginsenoside-f3

C41H70O12

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Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 4Ingredient: 1Target: 4Links: 8
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2735
Core Entity Id
6227
Source Entity Count
1
Preferred Name
Ginsenoside-f3
Name En
Pubchem Id
21672570
Smiles Canonical
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C
Molecular Formula
C41H70O12
Molecular Weight
754.9990
Inchikey
HJRVLGWTJSLQIG-ABNMXWHVSA-N
Inchi
InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)O)C
Cas Id
62025-50-7
Ob Score
13.1480
Mol Logp
1.7589
Num H Donors
8
Num H Acceptors
12
Num Rotatable Bonds
9
Drug Likeness
0.1530
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-6-Methylhept-5-En-2-Yl]Oxy-6-[[(2S,3R,4S,5S)-3,4,5-Trihydroxyoxan-2-Yl]Oxymet
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-F3_Qt
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-6-Methylhept-5-En-2-Yl]Oxy-6-[[(2S,3R,4S,5S)-3,4,5-Trihydroxyoxan-2-Yl]Oxymet
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymet
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxymet
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2s,3r,4s,5s,6r)-2-[(2s)-2-[(3s,5r,8r,9r,10r,12r,13r,14r,17s)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxymet
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside f3
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ginsenoside-F3
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-F3_Qt
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ginsenoside-f3
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside-f3
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ginsenoside-f3_qt
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ginsenoside-f3_qt
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ginsenoside-F3
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ginsenoside-F3_qt
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(20S)-ginsenoside C-Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
(20S)-ginsenoside C-Y
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-((2S)-6-methyl-2-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)hept-5-en-2-yl)oxy-6-(((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethyl-hex-4-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethylhex-4-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyran
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyme
Role
alias
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
62025-50-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
62025-50-7
Role
alias
Source
HERB_v2
Preferred
No
Name
83480-65-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
83480-65-3
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:176315
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:176315
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:77157
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:77157
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1095004
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1095004
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601317480
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601317480
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID701317419
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID701317419
Role
alias
Source
itcmdb_public
Preferred
No
Name
GINSENOSIDEF3
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside Compound-Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ginsenoside F3
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0600
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N0600
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucopyranoside, (3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-alpha-L-arabinopyranosyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucopyranoside, (3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-alpha-L-arabinopyranosyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside C-Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside C-Y
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside Y
Role
alias
Source
HERB_v2
Preferred
No
Name
ginsenoside Y
Role
alias
Source
itcmdb_public
Preferred
No
Name
ginsenoside compound Y
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-Pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-6-Methylhept-5-En-2-Yl]Oxy-6-[[(2S,3R,4S,5S)-3,4,5-Trihydroxyoxan-2-Yl]OxymetGinsenoside-F3_QtGinsenoside f3(20S)-ginsenoside C-Y(2S,3R,4S,5S,6R)-2-((2S)-6-methyl-2-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-17-yl)hept-5-en-2-yl)oxy-6-(((2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethyl-hex-4-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxytetrahydropyran-2(2S,3R,4S,5S,6R)-2-[(1S)-1-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,5-dimethylhex-4-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxy-2-tetrahydropyran(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyme(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol(2S,3R,4S,5S,6R)-2-[(2S)-6-methyl-2-[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,6,12-trihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol62025-50-783480-65-3CHEBI:176315CHEBI:77157CHEMBL1095004DTXSID601317480DTXSID701317419GINSENOSIDEF3Ginsenoside Compound-YHY-N0600beta-D-Glucopyranoside, (3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-alpha-L-arabinopyranosyl-ginsenoside C-Yginsenoside Yginsenoside compound Y

Cross References

Trusted external identifiers retained for this final record.

Cas
62025-50-7
Herb
HBIN006651HBIN027701HBIN027702
Npass
NPC131479NPC230896
Tcmid
21682
Tcmsp
MOL011395MOL012663MOL012664
Sym Map
SMIT12310SMIT13402SMIT13403
Pub Chem
2167257046887678
Tcmbank
TCMBANKIN012352TCMBANKIN025369TCMBANKIN036607
Etcm Ingredient
Ginsenoside f3
Itcmdb Generated
ITX-INGREDIENT-CEFA311D4806

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-51-35-33(48)30(45)24(43)19-50-35)22-11-16-40(7)29(22)23(42)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35-,36-,38-,39+,40+,41-/m0/s1InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-52-35-32(49)29(46)24(44)18-51-35)21-11-15-39(6)28(21)22(42)16-26-38(5)14-12-27(45)37(3,4)34(38)23(43)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1
Mol Wt
754.9990000000006770.9980000000006
Cas Id
62025-50-7
Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C
Mol Log P
1.7589000000000032.788100000000004
Version
v1,v2
In Ch Ikey
HJRVLGWTJSLQIG-ABNMXWHVSA-NYNBYFOIDLBTOMW-QHNUHGIDSA-N
Ob Score
13.14813.14800913.1480092220.12720.12704420.127044189.3237366869.3237379.324
Suppress
0
Num Hdonors
89
Drug Likeness
0.1530.161
Num Hacceptors
1213
Isomeric Smiles
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)O)CCC(=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)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@H](CO6)O)O)O)O)O)O)C
Molecule Weight
476.82755.11771.11
Canonical Smiles
CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)O)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)CCC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)O)C)C)O)C)OC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O)C
Herb Alias Names
ginsenoside C-Y83480-65-3ginsenoside Y(2S,3R,4S,5S,6R)-2-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triolbeta-D-Glucopyranoside, (3beta,12beta)-3,12-dihydroxydammar-24-en-20-yl 6-O-alpha-L-arabinopyranosyl-ginsenoside compound YGinsenoside Compound-Y(20S)-ginsenoside C-YCHEBI:77157DTXSID601317480
Molecular Weight
770.480
Molecular Weight
770.99
Molecular Formula
C41H70O13
Molecular Formula
C41H70O13
Molecular Formula
C41H70O12C41H70O13
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.066
Quantitative Estimate Of Drug Likeness（Qed）
0.153