Summary

IMPPAT Phytochemical identifier: IMPHY002274

Phytochemical name: Devadarene

Synonymous chemical names:
(+)-devadarene

External chemical identifiers:
CID:101286199, ZINC:ZINC000238755852

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Chemical structure information

SMILES:
C=C[C@@]1(C)CC[C@]2([C@H](C1)CC[C@@]13[C@@H]2CCC[C@]3(C1)C)C

InChI:
InChI=1S/C20H32/c1-5-17(2)11-12-19(4)15(13-17)8-10-20-14-18(20,3)9-6-7-16(19)20/h5,15-16H,1,6-14H2,2-4H3/t15-,16+,17-,18-,19-,20-/m0/s1

InChIKey:
BQPZRCWCEAVBRV-XSEPRYCASA-N

DeepSMILES:
C=C[C@@]C)CC[C@][C@H]C6)CC[C@][C@@H]6CCC[C@]6C7)C))))))))))C

Functional groups:
C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2C(C1)CCC13CC1CCCC23

Scaffold Graph/Node level:
C1CCC2C(C1)CCC13CC1CCCC23

Scaffold Graph level:
C1CCC2C(C1)CCC13CC1CCCC23

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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: Devadarane diterpenoids

NP-Likeness score: 3.525

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Chemical structure download