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
- 70757
- Core Entity Id
- 133406
- Source Entity Count
- 1
- Preferred Name
- chamaejasmin B
- Name En
- Pubchem Id
- 21676273
- 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)O)C6=CC=C(C=C6)OC
- Molecular Formula
- C32H26O10
- Molecular Weight
- 570.1500
- Inchikey
- BTCICADMSGBCKA-QWWQXMGCSA-N
- Inchi
- InChI=1S/C32H26O10/c1-39-19-7-3-15(4-8-19)31-27(29(37)25-21(35)11-17(33)13-23(25)41-31)28-30(38)26-22(36)12-18(34)14-24(26)42-32(28)16-5-9-20(40-2)10-6-16/h3-14,27-28,31-36H,1-2H3/t27-,28-,31-,32-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.3000
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 152.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
chamaejasmin B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
chamaejasmin B
Itcmdb Generated
ITX-INGREDIENT-A31FB3BC7E7F
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
570.150
Molecular Formula
C32H26O10
Fda Maximum Daily Dose (Fdamdd)
0.636
Quantitative Estimate Of Drug Likeness（Qed）
0.255