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
- 859
- Core Entity Id
- 4148
- Source Entity Count
- 1
- Preferred Name
- 24-methylcholesta-7,22-dien-3belta-ol
- Name En
- Pubchem Id
- 15481153
- Smiles Canonical
- CC(C)C(C)CCC(=C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
- Molecular Formula
- C28H46O
- Molecular Weight
- 398.6750
- Inchikey
- GFCBDAAFZPWBSM-LYLGZYPGSA-N
- Inchi
- InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-19,22-26,29H,4,7-8,10-17H2,1-3,5-6H3/t19-,22+,23+,24-,25+,26+,27+,28-/m1/s1
- Isomeric Smiles
- C[C@H](CCC(=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
- 12.2180
- Mol Logp
- 7.5548
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-Methylcholesta-7,22-Dien-3Belta-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
24-Methylcholesta-7,22-dien-3belta-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
24-Methylcholesta-7,22-dien-3belta-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-methylcholesta-7,22-dien-3belta-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
24-methylcholesta-7,22-dien-3belta-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
24-methylcholesta-7,22-dien-3belta-ol
Role
alias
Source
TCMBank
Preferred
No
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004449
Tcmid
25510
Tcmsp
MOL009614
Sym Map
SMIT00959
Pub Chem
15481153
Tcmbank
TCMBANKIN013093
Etcm Ingredient
24-Methylcholesta-7,22-dien-3belta-ol
Itcmdb Generated
ITX-INGREDIENT-358A6C4626C6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-19,22-26,29H,4,7-8,10-17H2,1-3,5-6H3/t19-,22+,23+,24-,25+,26+,27+,28-/m1/s1
Mol Wt
398.6750000000002
Smiles
CC(C)C(C)CCC(=C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Mol Log P
7.554800000000009
Version
v1,v2
In Ch Ikey
GFCBDAAFZPWBSM-LYLGZYPGSA-N
Ob Score
12.21812.2182779312.218278
Suppress
0
Num Hdonors
1
Drug Likeness
0.474
Num Hacceptors
1
Isomeric Smiles
C[C@H](CCC(=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
Molecule Weight
398.74
Canonical Smiles
CC(C)C(C)CCC(=C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Molecular Weight
398.350
Molecular Weight
398.74
Molecule Formula
C28H46O
Molecular Formula
C28H46O
Molecular Formula
C28H46O
Molecular Formula
C28H46O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.931
Quantitative Estimate Of Drug Likeness（Qed）
0.489