Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66449
- Core Entity Id
- 129098
- Source Entity Count
- 1
- Preferred Name
- 14-deoxyandrographiside
- Name En
- Pubchem Id
- 177827304
- Smiles Canonical
- CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)COC4C(C(C(C(O4)CO)O)O)O)O
- Molecular Formula
- C26H40O9
- Molecular Weight
- 496.2700
- Inchikey
- MEEPUSVTMHGIPC-HBBSULNESA-N
- Inchi
- InChI=1S/C26H40O9/c1-14-4-7-18-25(2,16(14)6-5-15-9-11-33-23(15)32)10-8-19(28)26(18,3)13-34-24-22(31)21(30)20(29)17(12-27)35-24/h9,16-22,24,27-31H,1,4-8,10-13H2,2-3H3/t16-,17-,18?,19-,20-,21+,22-,24-,25+,26+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.3000
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 146.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-deoxyandrographiside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
14-deoxyandrographiside
Itcmdb Generated
ITX-INGREDIENT-30F642B2C545
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
496.270
Molecular Formula
C26H40O9
Fda Maximum Daily Dose (Fdamdd)
0.455
Quantitative Estimate Of Drug Likeness（Qed）
0.308