ITCMDBv1
IngredientID 19716

Gamma-sitosterol

C29H50O

Back to Browse

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: 12Ingredient: 1Links: 12
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
19716
Core Entity Id
25097
Source Entity Count
1
Preferred Name
Gamma-sitosterol
Name En
Pubchem Id
457801
Smiles Canonical
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[ H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C4([H])[H])(C([H])([H])[H])[C@]34[H])C([H])([H])[C@@]1([H])O[H]
Molecular Formula
C29H50O
Molecular Weight
414.7180
Inchikey
KZJWDPNRJALLNS-FBZNIEFRSA-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
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
Cas Id
Ob Score
Mol Logp
8.0248
Num H Donors
1
Num H Acceptors
1
Num Rotatable Bonds
6
Drug Likeness
0.4360
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Gamma-Sitosterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Gamma-Sitosterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Gamma-sitosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Gamma-sitosterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
黎檬皮;板蓝根;云前胡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LU BANG QING;DA QINE YE;LI MENG PI;BAN LAN GEN;YUN QIAN HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lemonlike Citrus Pericarp ;Indigowoad Root ;Yun Hogfennel
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3beta,24S)-Stigmast-5-en-3-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3beta,24S)-Stigmast-5-en-3-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
.beta.-Dihydrofucosterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
.gamma.-Sitosterol
Role
alias
Source
HERB_v2
Preferred
No
Name
.gamma.-Sitosterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
22,23-Dihydroporiferasterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
22,23-Dihydroporiferasterol
Role
alias
Source
HERB_v2
Preferred
No
Name
24beta-Ethylcholesterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
24beta-Ethylcholesterol
Role
alias
Source
HERB_v2
Preferred
No
Name
83-47-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
83-47-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Clionasterol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Clionasterol
Role
alias
Source
HERB_v2
Preferred
No
Name
Poriferast-5-en-3beta-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Poriferast-5-en-3beta-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-Dihydrofucosterol
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

黎檬皮;板蓝根;云前胡LU BANG QING;DA QINE YE;LI MENG PI;BAN LAN GEN;YUN QIAN HULemonlike Citrus Pericarp ;Indigowoad Root ;Yun Hogfennel(3beta,24S)-Stigmast-5-en-3-ol.beta.-Dihydrofucosterol.gamma.-Sitosterol22,23-Dihydroporiferasterol24beta-Ethylcholesterol83-47-6ClionasterolPoriferast-5-en-3beta-olbeta-Dihydrofucosterol

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN027159
Npass
NPC249045
Tcmid
2911829509
Sym Map
SMIT19056
Tcm Id
12675
Pub Chem
457801
Tcmbank
TCMBANKIN057256
Itcmdb Generated
ITX-INGREDIENT-EA70ED8DCEAB

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
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
Mol Wt
414.7180000000002
Smiles
C1([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])C(=C([H])C([H])([H])[C@]3([H])[C@]2([H])C([H])([H])C([H])([H])[C@@]([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(C([H])(C([H])([H])[ H])C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C4([H])[H])(C([H])([H])[H])[C@]34[H])C([H])([H])[C@@]1([H])O[H]
Mol Log P
8.02480000000001
Version
v1,v2
In Ch Ikey
KZJWDPNRJALLNS-FBZNIEFRSA-N
Suppress
0
Tcm Name
黎檬皮;板蓝根;云前胡
Tcm Name2
LU BANG QING;DA QINE YE;LI MENG PI;BAN LAN GEN;YUN QIAN HU
Mol2 Path
/TCM_database/2003_3d_all/7758.mol2
Reference
2, 177, 660
Num Hdonors
1
Tcm Name En
Lemonlike Citrus Pericarp ;Indigowoad Root ;Yun Hogfennel
Drug Likeness
0.436
Num Hacceptors
1
Isomeric Smiles
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C
Canonical Smiles
CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C
Herb Alias Names
Clionasterol83-47-6beta-Dihydrofucosterol22,23-DihydroporiferasterolPoriferast-5-en-3beta-ol(3beta,24S)-Stigmast-5-en-3-ol.gamma.-Sitosterol24beta-Ethylcholesterol.beta.-Dihydrofucosterol
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Num Rotatable Bonds
6