Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8315
- Core Entity Id
- 12412
- Source Entity Count
- 1
- Preferred Name
- 7-dehydrosigmasterol
- Name En
- Pubchem Id
- 162931811
- Smiles Canonical
- CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
- Molecular Formula
- C29H50O
- Molecular Weight
- 414.7900
- Inchikey
- YSKVBPGQYRAUQO-BSYMRICISA-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/h11,19-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,21-,22-,23+,25+,26-,27-,28-,29+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 37.4230
- Mol Logp
- 9.1000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Dehydrosigmasterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
7-Dehydrosigmasterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-Dehydrosigmasterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-Dehydrosigmasterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
7-dehydrosigmasterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7-dehydrosigmasterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黄柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUANG BAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Amur Corktree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7-dehydrosigmasterol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黄柏HUANG BAIAmur Corktree
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013153
Tcmid
25941
Tcmsp
MOL006376
Sym Map
SMIT01232
Tcmbank
TCMBANKIN042116
Etcm Ingredient
7-Dehydrosigmasterol
Itcmdb Generated
ITX-INGREDIENT-41D3CD661060
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
[C@]1([H])(O[H])C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([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])[H])C([H])([H])C2([H])[H])(C([H])([H])[H])[C@@]23[H])C3=C([H])C4([H])[H])[C@]4([H])C1([H])[H]
Version
v1,v2
Ob Score
37.42337.4231206737.423121
Suppress
0
Tcm Name
黄柏
Tcm Name2
HUANG BAI
Mol2 Path
/TCM_database/2003_3d_all/2083.mol2
Reference
2
Tcm Name En
Amur Corktree
Molecule Weight
414.79
Molecular Weight
414.390
Molecular Weight
414.79
Molecule Formula
C29H50O
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Fda Maximum Daily Dose (Fdamdd)
0.448
Quantitative Estimate Of Drug Likeness（Qed）
0.436