Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71901
- Core Entity Id
- 134550
- Source Entity Count
- 1
- Preferred Name
- erythromycin
- Name En
- Pubchem Id
- 12560
- Smiles Canonical
- CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
- Molecular Formula
- C37H67NO13
- Molecular Weight
- 733.4600
- Inchikey
- ULGZDMOVFRHVEP-RWJQBGPGSA-N
- Inchi
- InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.7000
- Num H Donors
- 5
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 194.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
erythromycin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
erythromycin
Itcmdb Generated
ITX-INGREDIENT-F328DCEE1231
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
733.460
Molecular Formula
C37H67NO13
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.238