Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7538
- Core Entity Id
- 11560
- Source Entity Count
- 1
- Preferred Name
- 6beta-hydroxy-stigmast-4-en-3-one
- Name En
- Pubchem Id
- 163072798
- Smiles Canonical
- CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
- Molecular Formula
- C29H48O2
- Molecular Weight
- 429.0000
- Inchikey
- IWNCBADONFSAAW-ODDPHJAGSA-N
- Inchi
- InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25,27,31H,7-15,17H2,1-6H3/t19-,20+,22+,23-,24-,25+,27-,28-,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 37.0000
- Molecular Volume
- 337.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6beta-hydroxy-stigmast-4-en-3-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6beta-hydroxy-stigmast-4-en-3-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6beta-hydroxystigmast-4-en-3-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6beta-hydroxystigmast-4-en-3-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
生姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Zingiber officinale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
6β-hydroxystigmast-4-en-3-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6β-hydroxystigmast-4-en-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6beta-hydroxystigmast-4-en-3-one生姜Zingiber officinale6β-hydroxystigmast-4-en-3-one1.解表药(28-28)exterior-releasing medicinal1.发散风寒药(16-16)wind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012278
Tcmid
3605037608
Tcmbank
TCMBANKIN027520
Etcm Ingredient
6beta-hydroxystigmast-4-en-3-one
Itcmdb Generated
ITX-INGREDIENT-38B5BFBBBD9FITX-INGREDIENT-E51720440B8A
Attributes
Merged source attributes and domain-specific metadata.
Alog P
7
Smiles
C1([H])([H])C([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])C4=C([H])C1=O
37 Flag
37
C Count
29
N Count
0
O Count
2
P Count
0
S Count
0
Tcm Name
生姜
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/生姜/structure/6beta-hydroxystigmast-4-en-3-one.mol2
Tcm Name En
Zingiber officinale
Level1 Name
1.解表药(28-28)
Level2 Name
1.发散风寒药(16-16)
Num H Donors
1
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-cold-dispersing
Num H Acceptors
2
Herb Alias Names
6β-hydroxystigmast-4-en-3-one
Molecular Weight
428.370
Molecular Volume
337
Molecular Weight
429
Molecular Formula
C29H48O2
Molecular Formula
C29H48O2
Num Rotatable Bonds
6
Molecular Polar Surface Area
37
Fda Maximum Daily Dose (Fdamdd)
0.072
Quantitative Estimate Of Drug Likeness（Qed）
0.439