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Molecule Identifiers
Molecular Properties

ID: 136186

SMILES:
C12C(C(O)C(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 136187

SMILES:
C1(=C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 136188

SMILES:
C(CCCc1cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2OC(C(C)=CC)=O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.26

InChIKey:
WTXZGNMULLISNP-UHFFFAOYSA-N

ID: 136189

SMILES:
c1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 136190

SMILES:
c1(O)cc(CCC)cc2c1C1C(C(C)(O)C)CCC(C)(C1(C)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.639

InChIKey:
JBTDXGJWJPUDPO-UHFFFAOYSA-N

ID: 136191

SMILES:
CC1=CC(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 136192

SMILES:
C(Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 136193

SMILES:
C1C(C)C(=O)CC2C(C)(C)Oc3c(c(O)cc(C(CCC)=O)c3O)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.19

InChIKey:
JTBNNCBKKQGMFZ-UHFFFAOYSA-N

ID: 136194

SMILES:
c1(CC=C(COC(=O)CCC)C)c(C2C=C(C)CC(c3c(OC)ccc(CCCCC)c3)C(C(C)=C)C2O)cc(OC)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 618.855

CB1 binding score: -15.221

InChIKey:
XLINSUIZBLFZRI-UHFFFAOYSA-N

ID: 136195

SMILES:
CC(C1CCC(C)=CC1c1c(O)c(C(=O)C=CC(=CC(C(C(C)=CC)OC(C)=O)C)C)cc(C)c1OC(=O)C)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 550.692

CB1 binding score: Not available

InChIKey:
SXROLGSRJZEABC-UHFFFAOYSA-N

ID: 136196

SMILES:
C12C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136197

SMILES:
C1C(C=C(C)C)C(C)=CC(c2ccccc2)CC1(C)CO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.443

CB1 binding score: -14.128

InChIKey:
OHJNJWJYEWECIU-UHFFFAOYSA-N

ID: 136198

SMILES:
C1(=O)OC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.148

InChIKey:
DZPOMMWTQRQFLZ-UHFFFAOYSA-N

ID: 136199

SMILES:
Cc1cc2c(c(COC(=O)C)c1OC)CC1C(C(C)(C)O2)C(O)CC1(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.465

CB1 binding score: -13.574

InChIKey:
UDJJTAUGENHMNS-UHFFFAOYSA-N

ID: 136200

SMILES:
C(CC)Cc1cc(O)cc2c1OC(C(=C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.35

CB1 binding score: -13.845

InChIKey:
BFMMPAPLOAJRIE-UHFFFAOYSA-N

ID: 136201

SMILES:
CC(O)(CCC=C(C)C)C1Cc2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -15.929

InChIKey:
GMQQMUCHLUXPCS-UHFFFAOYSA-N

ID: 136202

SMILES:
c1(OC)c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 136203

SMILES:
O=C(C(O)C)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.716

InChIKey:
YXQXNKWPRPYJGJ-UHFFFAOYSA-N

ID: 136204

SMILES:
CC(C)OCc1cc(O)c2c(c1)OC(C)(C)C1C2C(OC)=C(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -15.929

InChIKey:
QFUDXOLOYVKKLR-UHFFFAOYSA-N

ID: 136205

SMILES:
C(C)(CCC=C(C)C)=CCc1c(CCCCC(C)C)c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -15.578

InChIKey:
RCBQVEDLWLPFSV-UHFFFAOYSA-N

ID: 136206

SMILES:
C(C)(C)C(=O)OC(c1c(O)cc2c(c1)OC(C)(C)C(O)C2)C(CC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.455

CB1 binding score: -17.269

InChIKey:
LQCKISYCGAAFQW-UHFFFAOYSA-N

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136186–136206 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties