Summary

IMPPAT Phytochemical identifier: IMPHY014224

Phytochemical name: 6beta-Hydroxysclareol

Synonymous chemical names:
6β-hydroxysclareol

External chemical identifiers:
CID:11723789

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Chemical structure information

SMILES:
C=C[C@@](CC[C@H]1[C@](C)(O)C[C@H]([C@@H]2[C@]1(C)CCCC2(C)C)O)(O)C

InChI:
InChI=1S/C20H36O3/c1-7-18(4,22)12-9-15-19(5)11-8-10-17(2,3)16(19)14(21)13-20(15,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16+,18+,19-,20-/m1/s1

InChIKey:
AEXNNCDBIIWLDH-CCEQCLNRSA-N

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

Functional groups:
C=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Labdane diterpenoids

NP-Likeness score: 3.19

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Chemical structure download