Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018299

Phytochemical name: 10S,11s-Himachala-3(12),4-diene

Synonymous chemical names:
10s,11s-Himachala-3(12),4-diene

External chemical identifiers:
CID:CID_14038471

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Chemical structure information

SMILES:
C=C1CC[C@@H]2C(=C1)C(C)(C)CCC[C@@H]2C

InChI:
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,12-13H,1,5-9H2,2-4H3/t12-,13-/m0/s1

InChIKey:
UPQOJPOSKCDZFM-STQMWFEESA-N

DeepSMILES:
C=CCC[C@@H]C=C6)CC)C)CCC[C@@H]7C

Functional groups:
C=C(C)C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=C2CCCCCC2CC1

Scaffold Graph/Node level:
CC1CCC2CCCCCC2C1

Scaffold Graph level:
CC1CCC2CCCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Himachalane sesquiterpenoids

NP-Likeness score: 2.529

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Chemical structure download