Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6775
- Core Entity Id
- 10710
- Source Entity Count
- 1
- Preferred Name
- 5alpha,6beta-dihydroxydaucosterol
- Name En
- Pubchem Id
- 162860844
- Smiles Canonical
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
- Molecular Formula
- C35H62O8
- Molecular Weight
- 611.0000
- Inchikey
- KGOXHMOIWNXGRZ-PNWFYMTBSA-N
- Inchi
- InChI=1S/C35H62O8/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23-16-28(37)35(41)17-22(12-15-34(35,6)26(23)13-14-33(24,25)5)42-32-31(40)30(39)29(38)27(18-36)43-32/h19-32,36-41H,7-18H2,1-6H3/t20-,21-,22+,23+,24-,25-,26+,27-,28-,29-,30+,31-,32-,33-,34-,35+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.0000
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 140.0000
- Molecular Volume
- 457.0000
- Alogp
- 4.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5 alpha ,6 beta-dihydroxydaucosterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5 alpha ,6 beta-dihydroxydaucosterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5alpha,6beta-dihydroxydaucosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5alpha,6beta-dihydroxydaucosterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
人蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Panax ginseng
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5α,6β-dihydroxy dau-costerol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5α,6β-dihydroxy dau-costerol
Role
alias
Source
HERB_v2
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.
5 alpha ,6 beta-dihydroxydaucosterol人蔘Panax ginseng5α,6β-dihydroxy dau-costerol13.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.
Herb
HBIN011387
Tcmid
4222942521
Tcmbank
TCMBANKIN010800
Etcm Ingredient
5 alpha ,6 beta-dihydroxydaucosterol
Itcmdb Generated
ITX-INGREDIENT-19E2A30EC69CITX-INGREDIENT-F38AFAAB1377
Attributes
Merged source attributes and domain-specific metadata.
Alog P
4
Smiles
C1([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])
[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H])[C@@]4([H])O[H])[C@]4(O[H])C([H])([H])[C@@]([H])(O[C@]([H])(O[C@]([H])(C([H])([H])O[H])[C@@]5([H])O[H])[C@]([H])(O[H])[C@@]5([H
])O[H])C1([H])[H]
37 Flag
37
C Count
35
N Count
0
O Count
8
P Count
0
S Count
0
Tcm Name
人蔘
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/人蔘/3D/5 alpha ,6 beta-dihydroxydaucosterol.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
Herb Alias Names
5α,6β-dihydroxy dau-costerol
Molecular Weight
610.440
Molecular Volume
457
Molecular Weight
611
Molecular Formula
C35H62O8
Molecular Formula
C35H62O8
Num Rotatable Bonds
9
Molecular Polar Surface Area
140
Fda Maximum Daily Dose (Fdamdd)
0.045
Quantitative Estimate Of Drug Likeness（Qed）
0.215