Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5780
- Core Entity Id
- 9613
- Source Entity Count
- 1
- Preferred Name
- 4alpha,14alpha,24-trimethylcholesta-8,24-dienol
- Name En
- Pubchem Id
- 129716078
- Smiles Canonical
- CC1CCCC2(C1CCC3=C2CCC4(C3(CCC4C(C)CCC(=C(C)CO)C)C)C)C
- Molecular Formula
- C30H50O
- Molecular Weight
- 426.7290
- Inchikey
- MMWJMNAYRAMIIT-APNUNJJNSA-N
- Inchi
- InChI=1S/C30H50O/c1-20(23(4)19-31)10-11-22(3)25-14-17-30(7)27-13-12-24-21(2)9-8-16-28(24,5)26(27)15-18-29(25,30)6/h21-22,24-25,31H,8-19H2,1-7H3/t21-,22-,24?,25-,28+,29-,30+/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C(C)CO)C)C)C)C
- Cas Id
- Ob Score
- 38.9099
- Mol Logp
- 8.4807
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4Alpha,14Alpha,24-Trimethylcholesta-8,24-Dienol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4alpha,14alpha,24-trimethylcholesta-8,24-dienol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4alpha,14alpha,24-trimethylcholesta-8,24-dienol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4alpha,14alpha,24-trimethylcholesta-8,24-dienol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4alpha,14alpha,24-trimethylcholesta-8,24-dienol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4α,14α,24-trimethylcholesta-8,24-dienol
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4α,14α,24-trimethylcholesta-8,24-dienol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010180
Tcmid
21929
Tcmsp
MOL009640
Sym Map
SMIT10740SMIT18040
Pub Chem
129716078
Tcmbank
TCMBANKIN012211
Etcm Ingredient
4alpha,14alpha,24-trimethylcholesta-8,24-dienol
Itcmdb Generated
ITX-INGREDIENT-7AE29872FBEF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C30H50O/c1-20(23(4)19-31)10-11-22(3)25-14-17-30(7)27-13-12-24-21(2)9-8-16-28(24,5)26(27)15-18-29(25,30)6/h21-22,24-25,31H,8-19H2,1-7H3/t21-,22-,24?,25-,28+,29-,30+/m1/s1
Mol Wt
426.7290000000003
Smiles
CC1CCCC2(C1CCC3=C2CCC4(C3(CCC4C(C)CCC(=C(C)CO)C)C)C)C
Mol Log P
8.480700000000008
Version
v1,v2
In Ch Ikey
MMWJMNAYRAMIIT-APNUNJJNSA-N
Ob Score
38.9098897338.9098938.91
Suppress
0
Num Hdonors
1
Drug Likeness
0.437
Num Hacceptors
1
Isomeric Smiles
C[C@@H]1CCC[C@]2(C1CCC3=C2CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC(=C(C)CO)C)C)C)C
Molecule Weight
426.8
Canonical Smiles
CC1CCCC2(C1CCC3=C2CCC4(C3(CCC4C(C)CCC(=C(C)CO)C)C)C)C
Molecular Weight
426.390
Molecular Weight
426.7 g/mol
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Molecular Formula
C30H50O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.039
Quantitative Estimate Of Drug Likeness（Qed）
0.447