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
- 58391
- Core Entity Id
- 101402
- Source Entity Count
- 1
- Preferred Name
- Clionasterol
- Name En
- Pubchem Id
- 12303645
- Smiles Canonical
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
- Molecular Formula
- C29H50O
- Molecular Weight
- 415.0000
- Inchikey
- KZJWDPNRJALLNS-ZFVHJZABSA-N
- Inchi
- InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23-,24+,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 20.0000
- Molecular Volume
- 341.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Clionasterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Clionasterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
clionasterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白茅根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BAI MAO GEN
Role
TCM_name_en
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
1.凉血止血药(8-9)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-cooling hemostatic medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
白茅根BAI MAO GEN7.止血药(25-26)hemostatic medicinal1.凉血止血药(8-9)blood-cooling hemostatic medicinal
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT23036
Tcmbank
TCMBANKIN057708
Itcmdb Generated
ITX-INGREDIENT-1304EA90D361ITX-INGREDIENT-D6E76699E03B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
8
Smiles
C([H])([H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]([H])([C@]([H])(C([H])([H])C([H])=C(C([H])([H])[C@]([H])(O[H])C([H])([H])C2([
H])[H])[C@]23C([H])([H])[H])[C@]3([H])C([H])([H])C4([H])[H])[C@@]14C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
37 Flag
37
C Count
29
N Count
0
O Count
1
P Count
0
S Count
0
Version
v2
Suppress
0
Tcm Name
白茅根
Mol2 Path
/TCM_database/7.止血药(25-26)/1.凉血止血药(8-9)/白茅根/structure/clionasterol.mol2
Tcm Name En
BAI MAO GEN
Level1 Name
7.止血药(25-26)
Level2 Name
1.凉血止血药(8-9)
Num H Donors
1
Level1 Name En
hemostatic medicinal
Level2 Name En
blood-cooling hemostatic medicinal
Num H Acceptors
1
Molecular Volume
341
Molecular Weight
415
Molecular Formula
C29H50O
Num Rotatable Bonds
6
Molecular Polar Surface Area
20