Summary

IMPPAT Phytochemical identifier: IMPHY012974

Phytochemical name: Nabiximols

Synonymous chemical names:
cannabinoids

External chemical identifiers:
CID:9852188, ChEMBL:CHEMBL3833333, SureChEMBL:SCHEMBL19858620

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Chemical structure information

SMILES:
CCCCCc1cc(O)c2c(c1)OC([C@H]1[C@H]2C=C(C)CC1)(C)C.CCCCCc1cc(O)c(c(c1)O)[C@@H]1C=C(C)CC[C@H]1C(=C)C

InChI:
InChI=1S/2C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,16-17,22H,5-10H2,1-4H3;11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t16-,17-;17-,18+/m10/s1

InChIKey:
SSNHGLKFJISNTR-DYSNNVSPSA-N

DeepSMILES:
CCCCCcccO)ccc6)OC[C@H][C@H]6C=CC)CC6))))))C)C.CCCCCcccO)ccc6)O))[C@@H]C=CC)CC[C@H]6C=C)C

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Meroterpenoids

NP Classifier Class: Cannabinoids

NP-Likeness score: 1.544

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Chemical structure download