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
- 67293
- Core Entity Id
- 129942
- Source Entity Count
- 1
- Preferred Name
- 25-S inokosterone
- Name En
- Pubchem Id
- 12358616
- Smiles Canonical
- CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO
- Molecular Formula
- C27H44O7
- Molecular Weight
- 480.3100
- Inchikey
- JQNVCUBPURTQPQ-BMZRUTLMSA-N
- Inchi
- InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16-,18-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.6000
- Num H Donors
- 6
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 138.0000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
25-S inokosterone
Itcmdb Generated
ITX-INGREDIENT-AA9A55844647
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
480.310
Molecular Formula
C27H44O7
Fda Maximum Daily Dose (Fdamdd)
0.946
Quantitative Estimate Of Drug Likeness（Qed）
0.319