Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71427
- Core Entity Id
- 134076
- Source Entity Count
- 1
- Preferred Name
- Demissidine
- Name En
- Pubchem Id
- 101379
- Smiles Canonical
- CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C
- Molecular Formula
- C27H45NO
- Molecular Weight
- 399.3500
- Inchikey
- JALVTHFTYRPDMB-HRRTYWNUSA-N
- Inchi
- InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,23+,24-,25-,26-,27-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 23.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Demissidine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Demissidine
Itcmdb Generated
ITX-INGREDIENT-AAC57188EF6C
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
399.350
Molecular Formula
C27H45NO
Fda Maximum Daily Dose (Fdamdd)
0.911
Quantitative Estimate Of Drug Likeness（Qed）
0.562