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Molecule Identifiers
Molecular Properties

ID: 61174

SMILES:
C1=C(C)C2C(C1)C(C)(C)Oc1c2c(O)c(O)c(C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.976

InChIKey:
WNDTWCCDZZOQRO-UHFFFAOYSA-N

ID: 61175

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)CCC1C2(C)CCC(C)=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -14.9

InChIKey:
YDRYPXRJNPIRFS-UHFFFAOYSA-N

ID: 61176

SMILES:
Cc1ccc(C2(O)C(C)C(C)(C)C2)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.534

CB1 binding score: -13.579

InChIKey:
ZCJOGUUUIPLJGL-UHFFFAOYSA-N

ID: 61177

SMILES:
C(O)C1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 61178

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -19.234

InChIKey:
SEEZIOZEUUMJME-UHFFFAOYSA-N

ID: 61179

SMILES:
C(Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -19.67

InChIKey:
QXOBJECFIJLBPW-UHFFFAOYSA-N

ID: 61180

SMILES:
C(C)(C)=CCCC(=CCc1c(O)cc(CCCCCO)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.775

InChIKey:
BPLYFGRGSWNQPD-UHFFFAOYSA-N

ID: 61181

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(=O)O)CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.754

InChIKey:
PUXUKHNJOJLYCW-UHFFFAOYSA-N

ID: 61182

SMILES:
O1c2c(cc(O)cc2C)CC=C1C1C=C2C(C)(CC(C=C(C)C)O)C3CC2=C(C)CC13

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -14.617

InChIKey:
ZSBCKVJOPZZWJL-UHFFFAOYSA-N

ID: 61183

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC3C(O)(C)CCC3C(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.434

InChIKey:
QCJUVEZLTJYCIK-UHFFFAOYSA-N

ID: 61184

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 61185

SMILES:
C12C(CC=C(C)C1)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.418

InChIKey:
UEUDZYHJJLDGIZ-UHFFFAOYSA-N

ID: 61186

SMILES:
C1=C(C)CCC2C1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.096

InChIKey:
OPOIPENSMKDQLW-UHFFFAOYSA-N

ID: 61187

SMILES:
C(OCC1=CC2C(CC1)C(C)(C)Oc1cc(CCc3ccccc3)cc(O)c12)(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.522

CB1 binding score: -15.058

InChIKey:
ZQNYMAFGUPXKNU-UHFFFAOYSA-N

ID: 61188

SMILES:
c1(OC)cc(CCCC)c(Oc2ccc(O)cc2)c(C2C=C(CO)CCC2C(=C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.565

CB1 binding score: -11.612

InChIKey:
RNFAPEMLHUOZIN-UHFFFAOYSA-N

ID: 61189

SMILES:
CC(=CCCC(=CCCC1(C)Oc2cc(CCCCC)cc(O)c2CC1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -19.601

InChIKey:
JXEWSPILIYHMCP-UHFFFAOYSA-N

ID: 61190

SMILES:
c1(C)c(O)c2c(cc1CC(=O)C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.598

InChIKey:
AKMCVNQQCZULGH-UHFFFAOYSA-N

ID: 61191

SMILES:
C1(O)(C)C2C(C(OC)=O)(c3c(cc(CCCCC)cc3O)OC2(C)C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -13.039

InChIKey:
CKXZTBGFTHNTJA-UHFFFAOYSA-N

ID: 61192

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2CC(C)CCC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -16.383

InChIKey:
QGIDWTQGBYXHLH-UHFFFAOYSA-N

ID: 61193

SMILES:
O1C(C)(C)C(C)C2C1CC=C(CCc1c(C)c(C=O)c(O)cc1C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -13.472

InChIKey:
KHAHKSDJDQVINV-UHFFFAOYSA-N

ID: 61194

SMILES:
C1(C)(C)C2CCC(C)CC2c2c(cc(O)cc2C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.346

InChIKey:
GGFBUEDIKGICRY-UHFFFAOYSA-N

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61174–61194 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