Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70023
- Core Entity Id
- 132672
- Source Entity Count
- 1
- Preferred Name
- anhydro erythromycin A
- Name En
- Pubchem Id
- 83949
- Smiles Canonical
- CCC1C2(C(C(C3(O2)C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C
- Molecular Formula
- C37H65NO12
- Molecular Weight
- 715.4500
- Inchikey
- YKAVHPRGGAUFDN-JTQLBUQXSA-N
- Inchi
- InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 155.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
anhydro erythromycin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
anhydro erythromycin A
Itcmdb Generated
ITX-INGREDIENT-671E20CAFB94
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
715.450
Molecular Formula
C37H65NO12
Fda Maximum Daily Dose (Fdamdd)
0.035
Quantitative Estimate Of Drug Likeness（Qed）
0.331