Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69812
- Core Entity Id
- 132461
- Source Entity Count
- 1
- Preferred Name
- Adriamycin
- Name En
- Pubchem Id
- 31703
- Smiles Canonical
- CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O
- Molecular Formula
- C27H30NO11+
- Molecular Weight
- 544.1800
- Inchikey
- AOJJSUZBOXZQNB-TZSSRYMLSA-N
- Inchi
- InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 206.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adriamycin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Adriamycin
Itcmdb Generated
ITX-INGREDIENT-47EF42E024DD
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
544.180
Molecular Formula
C27H30NO11+
Fda Maximum Daily Dose (Fdamdd)
0.323
Quantitative Estimate Of Drug Likeness（Qed）
0.147