Summary

IMPPAT Phytochemical identifier: IMPHY016841

Phytochemical name: Sclareol oxide

Synonymous chemical names:
sclareol oxide

External chemical identifiers:
CID:7057250, ZINC:ZINC000003851394, SureChEMBL:SCHEMBL17627625

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Chemical structure information

SMILES:
CC1=CC[C@H]2[C@@](O1)(C)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C18H30O/c1-13-7-8-15-17(4)11-6-10-16(2,3)14(17)9-12-18(15,5)19-13/h7,14-15H,6,8-12H2,1-5H3/t14-,15+,17-,18+/m0/s1

InChIKey:
LAEIZWJAQRGPDA-CIRFHOKZSA-N

DeepSMILES:
CC=CC[C@H][C@@]O6)C)CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
CC=C(C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=COC2CCC3CCCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1OCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthopyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 2.764

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Chemical structure download