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
Ingredient: 1Target: 3Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71343
- Core Entity Id
- 133992
- Source Entity Count
- 1
- Preferred Name
- DAUNORUBICIN HYDROCHLORIDE
- Name En
- Pubchem Id
- 62770
- Smiles Canonical
- CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl
- Molecular Formula
- C27H30ClNO10
- Molecular Weight
- 563.1600
- Inchikey
- GUGHGUXZJWAIAS-QQYBVWGSSA-N
- Inchi
- InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4507
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 186.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
DAUNORUBICIN HYDROCHLORIDE
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
DAUNORUBICIN HYDROCHLORIDE
Itcmdb Generated
ITX-INGREDIENT-259D335593CE
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
563.160
Molecular Formula
C27H30ClNO10
Fda Maximum Daily Dose (Fdamdd)
0.279
Quantitative Estimate Of Drug Likeness（Qed）
0.182