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
- 1087
- Core Entity Id
- 4402
- Source Entity Count
- 1
- Preferred Name
- 25-oh-20(r)-ginsenoside-rh1
- Name En
- Pubchem Id
- 21599927
- Smiles Canonical
- CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(CCCC(C)(C)O)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C
- Molecular Formula
- C36H64O10
- Molecular Weight
- 656.8980
- Inchikey
- LTEPQNJXCFBNEO-BIYWFNTMSA-N
- Inchi
- InChI=1S/C36H64O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h19-30,37-44H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,29-,30+,33+,34+,35+,36+/m0/s1
- Isomeric Smiles
- C[C@]12CC[C@@H](C([C@@H]1[C@H](C[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@@](C)(CCCC(C)(C)O)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)O
- Cas Id
- Ob Score
- Mol Logp
- 2.4904
- Num H Donors
- 8
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.1810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
25-OH-20(R)- ginsenoside-Rh1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
25-oh-20(r)-ginsenoside-rh1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
25-oh-20(r)-ginsenoside-rh1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
CHEMBL3594357
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3594357
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
25-OH-20(R)- ginsenoside-Rh1CHEMBL3594357
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004708
Npass
NPC140446
Tcmid
39351
Pub Chem
21599927
Tcmbank
TCMBANKIN018682
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C36H64O10/c1-31(2,43)12-9-13-36(8,44)19-10-15-34(6)25(19)20(38)16-23-33(5)14-11-24(39)32(3,4)29(33)21(17-35(23,34)7)45-30-28(42)27(41)26(40)22(18-37)46-30/h19-30,37-44H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,29-,30+,33+,34+,35+,36+/m0/s1
Mol Wt
656.8980000000005
Smiles
CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(CCCC(C)(C)O)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C
Mol Log P
2.490400000000003
In Ch Ikey
LTEPQNJXCFBNEO-BIYWFNTMSA-N
Num Hdonors
8
Drug Likeness
0.181
Num Hacceptors
10
Isomeric Smiles
C[C@]12CC[C@@H](C([C@@H]1[C@H](C[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(CC[C@@H]4[C@@](C)(CCCC(C)(C)O)O)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)(C)C)O
Canonical Smiles
CC1(C(CCC2(C1C(CC3(C2CC(C4C3(CCC4C(C)(CCCC(C)(C)O)O)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C
Herb Alias Names
CHEMBL3594357
Molecular Formula
C36H64O10
Molecular Formula
C36H64O10
Num Rotatable Bonds
8