Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69440
- Core Entity Id
- 132089
- Source Entity Count
- 1
- Preferred Name
- 7-Oxodihydrokarounidiol
- Name En
- Pubchem Id
- 122881
- Smiles Canonical
- CC1(C(CCC2(C1CC(=O)C3=C2CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C
- Molecular Formula
- C30H48O3
- Molecular Weight
- 456.3600
- Inchikey
- LGSJWAHGGJDXIU-YLUXGQHSSA-N
- Inchi
- InChI=1S/C30H48O3/c1-25(2)21-16-20(32)24-19(28(21,5)10-9-23(25)33)8-11-29(6)22-17-26(3,18-31)12-13-27(22,4)14-15-30(24,29)7/h21-23,31,33H,8-18H2,1-7H3/t21-,22+,23+,26+,27+,28+,29-,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.3000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 57.5000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
7-Oxodihydrokarounidiol
Itcmdb Generated
ITX-INGREDIENT-29E91555F338
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
456.360
Molecular Formula
C30H48O3
Fda Maximum Daily Dose (Fdamdd)
0.870
Quantitative Estimate Of Drug Likeness（Qed）
0.468