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
- 66611
- Core Entity Id
- 129260
- Source Entity Count
- 1
- Preferred Name
- 1-desmethylaurantio-obtusin
- Name En
- Pubchem Id
- 13675112
- Smiles Canonical
- CC1=CC2=C(C(=C1O)O)C(=O)C3=C(C(=C(C=C3C2=O)O)OC)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.0600
- Inchikey
- USUNDOUFMULNJJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O7/c1-5-3-6-9(14(21)11(5)18)13(20)10-7(12(6)19)4-8(17)16(23-2)15(10)22/h3-4,17-18,21-22H,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 124.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-desmethylaurantio-obtusin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-desmethylaurantio-obtusin
Itcmdb Generated
ITX-INGREDIENT-987DF7F0EBFC
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
300.060
Molecular Formula
C16H12O6
Fda Maximum Daily Dose (Fdamdd)
0.887
Quantitative Estimate Of Drug Likeness（Qed）
0.210