Summary

IMPPAT Phytochemical identifier: IMPHY009496

Phytochemical name: Sempervirol

Synonymous chemical names:
sempervirol

External chemical identifiers:
CID:12442761, ChEMBL:CHEMBL1097038, ZINC:ZINC000014695570, SureChEMBL:SCHEMBL10524412

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Chemical structure information

SMILES:
CC(c1cc2c(cc1O)CC[C@@H]1[C@]2(C)CCCC1(C)C)C

InChI:
InChI=1S/C20H30O/c1-13(2)15-12-16-14(11-17(15)21)7-8-18-19(3,4)9-6-10-20(16,18)5/h11-13,18,21H,6-10H2,1-5H3/t18-,20+/m0/s1

InChIKey:
RSIJAQZNHHXEJZ-AZUAARDMSA-N

DeepSMILES:
CCcccccc6O)))CC[C@@H][C@]6C)CCCC6C)C)))))))))))))C

Functional groups:
cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1CCCCC21

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: Abietane diterpenoids, Podocarpane diterpenoids

NP-Likeness score: 2.28

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Chemical structure download