Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70756
- Core Entity Id
- 133405
- Source Entity Count
- 1
- Preferred Name
- chamaejasmin A
- Name En
- Pubchem Id
- 390360
- Smiles Canonical
- COC1=CC=C(C=C1)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)C4C(OC5=CC(=CC(=C5C4=O)O)OC)C6=CC=C(C=C6)OC
- Molecular Formula
- C33H28O10
- Molecular Weight
- 584.1700
- Inchikey
- RCENZFSDCKZBLJ-RYNFHTSCSA-N
- Inchi
- InChI=1S/C33H28O10/c1-39-19-8-4-16(5-9-19)32-28(30(37)26-22(35)12-18(34)13-24(26)42-32)29-31(38)27-23(36)14-21(41-3)15-25(27)43-33(29)17-6-10-20(40-2)11-7-17/h4-15,28-29,32-36H,1-3H3/t28-,29-,32+,33+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.6000
- Num H Donors
- 3
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 141.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
chamaejasmin A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
chamaejasmin A
Itcmdb Generated
ITX-INGREDIENT-246A419F97A9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
584.170
Molecular Formula
C33H28O10
Fda Maximum Daily Dose (Fdamdd)
0.744
Quantitative Estimate Of Drug Likeness（Qed）
0.270