Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66362
- Core Entity Id
- 129011
- Source Entity Count
- 1
- Preferred Name
- 12-acetoxyganoderic acid
- Name En
- Pubchem Id
- 91885249
- Smiles Canonical
- CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(=O)C4(C)C)C)OC(=O)C)C)C
- Molecular Formula
- C32H42O9
- Molecular Weight
- 570.2800
- Inchikey
- BWCNWXLKMWWVBT-UWCKRADDSA-N
- Inchi
- InChI=1S/C32H42O9/c1-15(11-18(34)12-16(2)28(39)40)19-13-23(37)32(8)24-20(35)14-21-29(4,5)22(36)9-10-30(21,6)25(24)26(38)27(31(19,32)7)41-17(3)33/h15-16,19,21,27H,9-14H2,1-8H3,(H,39,40)/t15-,16?,19-,21?,27-,30+,31+,32+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 149.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-acetoxyganoderic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
12-acetoxyganoderic acid
Itcmdb Generated
ITX-INGREDIENT-B8D56BCC69D3
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
570.280
Molecular Formula
C32H42O9
Fda Maximum Daily Dose (Fdamdd)
0.056
Quantitative Estimate Of Drug Likeness（Qed）
0.447