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Molecule Identifiers
Molecular Properties

ID: 108823

SMILES:
c1(O)c(CC2C(CCC=C(C)C)(C)C(Cl)CCC2=C)cc(OC)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.968

CB1 binding score: -15.659

InChIKey:
XLOKAVHAFYNINX-UHFFFAOYSA-N

ID: 108824

SMILES:
O1c2c(cc(OC)c(C)c2)C(C)C1(CCC(O)C(C)(O)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.418

CB1 binding score: -16.169

InChIKey:
CSNSYLQEMZMQFH-UHFFFAOYSA-N

ID: 108825

SMILES:
C12C(C(C)(C)Oc3cc(CCC(=O)C(C)=C)ccc31)C(=O)OC(C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -13.076

InChIKey:
OQWQZVXSQJWSDU-UHFFFAOYSA-N

ID: 108826

SMILES:
C1(C)CC(c2c(O)ccc(CCCCC)c2)C(c2ccccc2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.557

CB1 binding score: -15.801

InChIKey:
ROAPXPARJNCTHK-UHFFFAOYSA-N

ID: 108827

SMILES:
C1(c2cc(O)c(O)c(CC=C(C)CCCC(C)(C)O)c2)OC(C)(C)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.509

CB1 binding score: -12.853

InChIKey:
IBOLGEOPMJTSMN-UHFFFAOYSA-N

ID: 108828

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)cc1Br

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 377.366

CB1 binding score: -12.678

InChIKey:
SHCWHRSWRBEGNQ-UHFFFAOYSA-N

ID: 108829

SMILES:
O(c1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 108830

SMILES:
C1C(O)(C(C)=C)CCC2(C)OC2Cc2c(O)cc(CCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.292

InChIKey:
GMMVZIBMKAUEMD-UHFFFAOYSA-N

ID: 108831

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 108832

SMILES:
C1(=C)CCC(C(CCC=C(C)C)C)OC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.797

InChIKey:
SQKCBENHDRZWIH-UHFFFAOYSA-N

ID: 108833

SMILES:
C1(C)=CC(OC)C2C(C1)c1c(cc(C)cc1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -11.123

InChIKey:
WDMYIANPUKPKPF-UHFFFAOYSA-N

ID: 108834

SMILES:
CCCCCc1c(O)c(C2C=C(C)CCC2C(C)C)c(O)cc1C(OC)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -14.18

InChIKey:
GNZXZMWAEPPMTD-UHFFFAOYSA-N

ID: 108835

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108836

SMILES:
C(=C(C)C)CCC1=CCOc2c1ccc(CCCC(C)C)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -13.399

InChIKey:
PNUMQZYEQMZFIB-UHFFFAOYSA-N

ID: 108837

SMILES:
C1(C)C2(CCC(C)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.382

InChIKey:
RDAVIUPBFREUOS-UHFFFAOYSA-N

ID: 108838

SMILES:
O(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.905

InChIKey:
RNOQYSXGLMPXLQ-UHFFFAOYSA-N

ID: 108839

SMILES:
CCCCCc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 108840

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2O)C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 108841

SMILES:
C(C(=O)C)CC1c2c(O)cc3c(c2OC1C)CC(C(C)(C)O)Cc1c(C)cc(O)cc1-3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.537

CB1 binding score: -14.125

InChIKey:
CKNLEIMWBBYCIO-UHFFFAOYSA-N

ID: 108842

SMILES:
Oc1cc(CCC)cc2c1C1C(C(C)(C)O2)CCC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -18.987

InChIKey:
QYNCMPYNYFYQFE-UHFFFAOYSA-N

ID: 108843

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1=C2CC(C)(O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.269

InChIKey:
SEZYEGYUECNXNK-UHFFFAOYSA-N

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108823–108843 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