Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65301
- Core Entity Id
- 127950
- Source Entity Count
- 1
- Preferred Name
- (22E,24R)-Stigmasta-4,22-dien-3-one
- Name En
- Pubchem Id
- 12611207
- Smiles Canonical
- CCC(C=CC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(C)C
- Molecular Formula
- C29H46O
- Molecular Weight
- 410.3500
- Inchikey
- MKGZDUKUQPPHFM-PHEXLZNCSA-N
- Inchi
- InChI=1S/C29H46O/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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21+,24+,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.5000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(22E,24R)-Stigmasta-4,22-dien-3-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(22E,24R)-Stigmasta-4,22-dien-3-one
Itcmdb Generated
ITX-INGREDIENT-AE1498E45E54
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
410.350
Molecular Formula
C29H46O
Fda Maximum Daily Dose (Fdamdd)
0.873
Quantitative Estimate Of Drug Likeness（Qed）
0.419