IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Sylvestrene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY014240
Phytochemical name:
Sylvestrene
Synonymous chemical names:
d-sylvestrene, sylvestrene
External chemical identifiers:
CID:12304570
,
ZINC:ZINC000086034086
Chemical structure information
SMILES:
CC1=CCC[C@H](C1)C(=C)C
InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h5,10H,1,4,6-7H2,2-3H3/t10-/m1/s1
InChIKey:
JWQKMEKSFPNAIB-SNVBAGLBSA-N
DeepSMILES:
CC=CCC[C@H]C6)C=C)C
Functional groups:
C=C(C)C, CC=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCC1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Monoterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Monoterpenoids
NP Classifier Class:
Monocyclic monoterpenoids
NP-Likeness score:
2.349
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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