Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40765
- Core Entity Id
- 83776
- Source Entity Count
- 1
- Preferred Name
- 24-ethyl-cholesta-7, 24(28)-dien-3 beta-ol
- Name En
- Pubchem Id
- 5283654
- Smiles Canonical
- CCC(CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)=C(C)C
- Molecular Formula
- C29H48O
- Molecular Weight
- 413.0000
- Inchikey
- STLJXSQSUAPXFX-SGUBZQMTSA-N
- Inchi
- InChI=1S/C29H48O/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/h11,20,22-23,25-27,30H,7-10,12-18H2,1-6H3/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 20.0000
- Molecular Volume
- 338.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
24-ethyl-cholesta-7, 24(28)-dien-3 beta-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
24-ethyl-cholesta-7, 24(28)-dien-3 beta-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
南瓜子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Cucurbita moschata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南瓜子Cucurbita moschata
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN002277
Etcm Ingredient
24-ethyl-cholesta-7, 24(28)-dien-3 beta-ol
Itcmdb Generated
ITX-INGREDIENT-413AA2D42C8AITX-INGREDIENT-AEE9E3ABC0ED
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
Smiles
[C@]1([H])(O[H])C([H])([H])[C@@]2([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@](C([H])([H])[H])([C@@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])\C(\C([H])([H])C([H])([H])[H
])=C(/C([H])([H])[H])\C([H])([H])[H])C([H])([H])C3([H])[H])[C@@]34[H])C4=C([H])C2([H])[H])C([H])([H])C1([H])[H]
37 Flag
37
C Count
29
N Count
0
O Count
1
P Count
0
S Count
0
Tcm Name
南瓜子
Mol2 Path
/TCM_database/18.驱虫药(9-9)/南瓜子/3D/24-ethyl-cholesta-7, 24(28)-dien-3 beta-ol.mol2
Tcm Name En
Cucurbita moschata
Level1 Name
18.驱虫药(9-9)
Num H Donors
1
Level1 Name En
worm-expelling medicinal
Num H Acceptors
1
Molecular Weight
412.370
Molecular Volume
338
Molecular Weight
413
Molecular Formula
C29H48O
Molecular Formula
C29H48O
Num Rotatable Bonds
5
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.620
Quantitative Estimate Of Drug Likeness（Qed）
0.452