IngredientID 47529
(+)-24,24-dimethyl-25,32-cyclo-5 alpha-lanosta-9(11)-en-3b-ol
C32H54O
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: 1Ingredient: 1Target: 9Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 47529
- Core Entity Id
- 90540
- Source Entity Count
- 1
- Preferred Name
- (+)-24,24-dimethyl-25,32-cyclo-5 alpha-lanosta-9(11)-en-3b-ol
- Name En
- Pubchem Id
- 101406347
- Smiles Canonical
- C[C@H](CC[C@]1(C)CC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
- Molecular Formula
- C32H54O
- Molecular Weight
- 455.0000
- Inchikey
- JKDGXJHCLDXVBT-PWMYIQFBSA-N
- Inchi
- InChI=1S/C32H54O/c1-21(12-16-29(6)20-27(29,2)3)22-13-18-32(9)24-10-11-25-28(4,5)26(33)15-17-30(25,7)23(24)14-19-31(22,32)8/h14,21-22,24-26,33H,10-13,15-20H2,1-9H3/t21-,22-,24-,25+,26+,29-,30-,31-,32+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 20.0000
- Molecular Volume
- 368.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-24,24-dimethyl-25,32-cyclo-5 alpha-lanosta-9(11)-en-3b-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-24,24-dimethyl-25,32-cyclo-5,alpha-lanosta-9(11)-en-3b-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
山慈菇
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cremastra appendiculata
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Asarum sagittarioides
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-24,24-dimethyl-25,32-cyclo-5,alpha-lanosta-9(11)-en-3b-ol山慈菇Cremastra appendiculataAsarum sagittarioides2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN025470
Etcm Ingredient
(+)-24,24-dimethyl-25,32-cyclo-5,alpha-lanosta-9(11)-en-3b-ol
Itcmdb Generated
ITX-INGREDIENT-81CD6C0B557EITX-INGREDIENT-9AE0A66AD874
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
Smiles
C1([H])([H])C([H])([H])[C@](C([H])([H])[H])(C(=C([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@@]([H])(C([H])([H])C([H])([H])[C@@]2(C([H])([H])C2(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H]
)([H])[H])C([H])([H])C3([H])[H])[C@@]34C([H])([H])[H])[C@@]4([H])C([H])([H])C5([H])[H])[C@]5([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]1([H])O[H]
37 Flag
37
C Count
32
N Count
0
O Count
1
P Count
0
S Count
0
Tcm Name
山慈菇
Tcm Name2
Cremastra appendiculata
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/山慈菇/Cremastra appendiculata/Structure/(+)-24,24-dimethyl-25,32-cyclo-5 alpha-lanosta-9(11)-en-3b-ol.mol2
Tcm Name En
Asarum sagittarioides
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
1
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Num H Acceptors
1
Molecular Weight
454.420
Molecular Volume
368
Molecular Weight
455
Molecular Formula
C32H54O
Molecular Formula
C32H54O
Num Rotatable Bonds
4
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.421