IngredientID 65232
(1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-Methylidenedecahydro-1H-Cyclopropa(E)Azulen-7-Ol
C15H24O
Relationship Network
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Herb: 12Ingredient: 1Links: 12
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65232
- Core Entity Id
- 127881
- Source Entity Count
- 1
- Preferred Name
- (1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-Methylidenedecahydro-1H-Cyclopropa(E)Azulen-7-Ol
- Name En
- Pubchem Id
- 178323
- Smiles Canonical
- CC1(C2C1C3C(CCC3(C)O)C(=C)CC2)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.1800
- Inchikey
- FRMCCTDTYSRUBE-FTQJZPFOSA-N
- Inchi
- InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.1000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-Methylidenedecahydro-1H-Cyclopropa(E)Azulen-7-Ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(1aR,4aS,7R,7aR,7bR)-1,1,7-Trimethyl-4-Methylidenedecahydro-1H-Cyclopropa(E)Azulen-7-Ol
Itcmdb Generated
ITX-INGREDIENT-1F78F48CF86E
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
220.180
Molecular Formula
C15H24O
Fda Maximum Daily Dose (Fdamdd)
0.678
Quantitative Estimate Of Drug Likeness（Qed）
0.620