IngredientID 65760
(R)-1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione
C19H20O3
Relationship Network
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Herb: 1Ingredient: 1Target: 12Links: 13
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65760
- Core Entity Id
- 128409
- Source Entity Count
- 1
- Preferred Name
- (R)-1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione
- Name En
- Pubchem Id
- 160254
- Smiles Canonical
- CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C
- Molecular Formula
- C19H20O3
- Molecular Weight
- 296.1400
- Inchikey
- GVKKJJOMQCNPGB-JTQLQIEISA-N
- Inchi
- InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.8000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 43.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(R)-1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(R)-1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-phenanthro(1,2-b)furan-10,11-dione
Itcmdb Generated
ITX-INGREDIENT-617F2D4032F6
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
296.140
Molecular Formula
C19H20O3
Fda Maximum Daily Dose (Fdamdd)
0.226
Quantitative Estimate Of Drug Likeness（Qed）
0.579