Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018050

Phytochemical name: (+)-Dolichodial

Synonymous chemical names:
(+)-Dolichodial

External chemical identifiers:
CID:CID_72710758, FDASRS:U9LTD4M4UI

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Chemical structure information

SMILES:
O=CC(=C)[C@@H]1CC[C@H]([C@@H]1C=O)C

InChI:
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m1/s1

InChIKey:
BORBLDJNKYHVJP-JEZHCXPESA-N

DeepSMILES:
O=CC=C)[C@@H]CC[C@H][C@@H]5C=O)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.857

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Chemical structure download