Summary

IMPPAT Phytochemical identifier: IMPHY003459

Phytochemical name: Pimara-8(14),15-diene

Synonymous chemical names:
(-)-pimaridiene, pimara-8(14),15-diene, pimaradiene, sandaracopimar-8(14), 15-diene, sandaracopimara-8 (14),15-diene, sandaracopimara-8(14),15- diene, sandaracopimara-8(14),15-diene, sandaracopimaradiene

External chemical identifiers:
CID:440909, ChEBI:8210, SureChEMBL:SCHEMBL4560996

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Chemical structure information

SMILES:
C=C[C@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C

InChI:
InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19+,20+/m0/s1

InChIKey:
XDSYKASBVOZOAG-RAUXBKROSA-N

DeepSMILES:
C=C[C@]C)CC[C@H]C=C6)CC[C@@H][C@]6C)CCCC6C)C

Functional groups:
C=CC, CC(C)=CC

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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: 3.417

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Chemical structure download