IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Rosifoliol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009200
Phytochemical name:
Rosifoliol
Synonymous chemical names:
rosifoliol
External chemical identifiers:
CID:527256
Chemical structure information
SMILES:
CC1CCCC2(C1=CC(CC2)C(O)(C)C)C
InChI:
InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h10-12,16H,5-9H2,1-4H3
InChIKey:
SRHDLIDOZXPROB-UHFFFAOYSA-N
DeepSMILES:
CCCCCCC6=CCCC6))CO)C)C)))))C
Functional groups:
CC=C(C)C, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1
Scaffold Graph/Node level:
C1CCC2CCCCC2C1
Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Sesquiterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Sesquiterpenoids
NP Classifier Class:
Eudesmane sesquiterpenoids
NP-Likeness score:
2.743
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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