Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 4Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 856
- Core Entity Id
- 4145
- Source Entity Count
- 1
- Preferred Name
- 24-methylcholest-7-en-3belta-ol
- Name En
- Pubchem Id
- 102059190
- Smiles Canonical
- CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4)O)C)C)C
- Molecular Formula
- C28H48O
- Molecular Weight
- 400.6910
- Inchikey
- CYEADWAQMXQSDD-HSKPTPBYSA-N
- Inchi
- InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-23,29H,7-18H2,1-6H3/t20-,21?,22+,23-,26+,27-,28+/m1/s1
- Isomeric Smiles
- C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C
- Cas Id
- Ob Score
- 8.7900
- Mol Logp
- 7.9229
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-Methylcholest-7-En-3Belta-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
24-Methylcholest-7-en-3belta-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
24-Methylcholest-7-en-3belta-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-methylcholest-7-en-3belta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
24-methylcholest-7-en-3belta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-methyl-cholest -8(9)-en-3b-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
14-methyl-cholest -8(9)-en-3b-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
24-methylcholest-7-en-3belta-ol
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL26641933
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL26641933
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14-methyl-cholest -8(9)-en-3b-olSCHEMBL26641933
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004443
Npass
NPC137755
Tcmid
25503
Tcmsp
MOL009613
Sym Map
SMIT01025
Pub Chem
102059190
Tcmbank
TCMBANKIN010929
Etcm Ingredient
24-Methylcholest-7-en-3belta-ol
Itcmdb Generated
ITX-INGREDIENT-D3F1CE59C613
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-13-16-28(6)25-11-10-21-18-22(29)12-15-26(21,4)24(25)14-17-27(23,28)5/h19-23,29H,7-18H2,1-6H3/t20-,21?,22+,23-,26+,27-,28+/m1/s1
Mol Wt
400.6910000000002
Smiles
CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4)O)C)C)C
Mol Log P
7.92290000000001
Version
v1,v2
In Ch Ikey
CYEADWAQMXQSDD-HSKPTPBYSA-N
Ob Score
8.798.7904478148.790448
Suppress
0
Num Hdonors
1
Drug Likeness
0.465
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CCC4[C@@]3(CC[C@@H](C4)O)C)C)C
Molecule Weight
400.76
Canonical Smiles
CC(C)CCCC(C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4)O)C)C)C
Herb Alias Names
SCHEMBL2664193314-methyl-cholest -8(9)-en-3b-ol
Molecular Weight
400.370
Molecular Weight
400.76
Molecule Formula
C28H48O
Molecular Formula
C28H48O
Molecular Formula
C28H48O
Molecular Formula
C28H48O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.455
Quantitative Estimate Of Drug Likeness（Qed）
0.470