Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018093

Phytochemical name: (1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane

Synonymous chemical names:
(1S,2S,3R,4S,6R,7R,8S)-1,2-Dimethyl-8-propan-2-yltetracyclo[4.4.0.02,4.03,7]decane

External chemical identifiers:
CID:CID_16212927

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@]2([C@H]3[C@@H]1[C@@H]1[C@@H]([C@]21C)C3)C)C

InChI:
InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3/t9-,10+,11-,12+,13-,14?,15-/m0/s1

InChIKey:
XBWACJDEQIZTPR-SQGKUSMWSA-N

DeepSMILES:
CC[C@@H]CC[C@][C@H][C@@H]6[C@@H][C@@H][C@]63C))C5)))))C)))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph/Node level:
C1CC2C3CC4C2C4C3C1

Scaffold Graph level:
C1CC2C3CC4C2C4C3C1

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Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Sativane sesquiterpenoids

NP-Likeness score: 2.753

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Chemical structure download