IngredientID 71547

dihydrocorynantheol

C19H26N2O

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Relationship Network

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Herb: 1Ingredient: 1Target: 3Links: 7
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
71547
Core Entity Id
134196
Source Entity Count
1
Preferred Name
dihydrocorynantheol
Name En
Pubchem Id
164952
Smiles Canonical
CCC1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34
Molecular Formula
C19H26N2O
Molecular Weight
298.2000
Inchikey
KBMIVGVAJKVWBU-DEYYWGMASA-N
Inchi
InChI=1S/C19H26N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-6,13-14,18,20,22H,2,7-12H2,1H3/t13-,14-,18-/m0/s1
Isomeric Smiles
Cas Id
Ob Score
Mol Logp
3.2000
Num H Donors
2
Num H Acceptors
2
Num Rotatable Bonds
3
Drug Likeness
Polar Surface Area
39.3000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
dihydrocorynantheol
Role
preferred
Source
ETCM_v2
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Etcm Ingredient
dihydrocorynantheol
Itcmdb Generated
ITX-INGREDIENT-A935AAFBA244

Attributes

Merged source attributes and domain-specific metadata.

Molecular Weight
298.200
Molecular Formula
C19H26N2O
Fda Maximum Daily Dose (Fdamdd)
0.967
Quantitative Estimate Of Drug Likeness(Qed)
0.910