Summary

IMPPAT Phytochemical identifier: IMPHY000410

Phytochemical name: Cannabispirenone B

Synonymous chemical names:
cannabispirenone b

External chemical identifiers:
CID:101176447

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Chemical structure information

SMILES:
COc1cc(O)cc2c1[C@@]1(CCC(=O)C=C1)CC2

InChI:
InChI=1S/C15H16O3/c1-18-13-9-12(17)8-10-2-5-15(14(10)13)6-3-11(16)4-7-15/h3,6,8-9,17H,2,4-5,7H2,1H3/t15-/m0/s1

InChIKey:
INYHBBQIKOOHDX-HNNXBMFYSA-N

DeepSMILES:
COcccO)ccc6[C@@]CCC=O)C=C6)))))CC5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(CC1)CCc1ccccc12

Scaffold Graph/Node level:
OC1CCC2(CC1)CCC1CCCCC12

Scaffold Graph level:
CC1CCC2(CC1)CCC1CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Indanes

NP-Likeness score: 2.039

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Chemical structure download