Summary

IMPPAT Phytochemical identifier: IMPHY001566

Phytochemical name: Leucophleol

Synonymous chemical names:
leucophleol

External chemical identifiers:
CID:15488960, ZINC:ZINC000238738969

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Chemical structure information

SMILES:
OC[C@@H]([C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)[C@H](O)CCC1(C)C)O

InChI:
InChI=1S/C20H34O3/c1-18(2)9-8-16(22)20(4)14-7-10-19(3,17(23)12-21)11-13(14)5-6-15(18)20/h11,14-17,21-23H,5-10,12H2,1-4H3/t14-,15-,16+,17-,19+,20+/m0/s1

InChIKey:
QMPZNDBIBKPBLS-QTGPRJIVSA-N

DeepSMILES:
OC[C@@H][C@]C)CC[C@H]C=C6)CC[C@@H][C@]6C)[C@H]O)CCC6C)C))))))))))))))O

Functional groups:
CC(C)=CC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCC3CCCCC3C2CCC1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

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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: Pimarane and Isopimarane diterpenoids

NP-Likeness score: 3.526

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Chemical structure download