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Molecule Identifiers
Molecular Properties

ID: 70204

SMILES:
C(C)(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 70205

SMILES:
C1CC(C)=CC(c2c(O)c(OC)cc(CCCCC)c2)C1C(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.469

InChIKey:
LXWYQDOYEYSREJ-UHFFFAOYSA-N

ID: 70206

SMILES:
C1C23c4c(O)cc(CCCCC)cc4OC1(O)OC2C(C(C)C)CCC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -13.627

InChIKey:
UHQVIXKXHOPAJJ-UHFFFAOYSA-N

ID: 70207

SMILES:
c1c(C)c(OC(=O)CCCCCCC)c2c(c1)OC(C)(C)c1c-2cc(C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -11.603

InChIKey:
MIHAPSYDRLWFJI-UHFFFAOYSA-N

ID: 70208

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 70209

SMILES:
C1=C(C)C2(C)c3c(cc(CCCCC)cc3O)OC1C(C)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.078

InChIKey:
HHJYAATZIZDDRQ-UHFFFAOYSA-N

ID: 70210

SMILES:
C(C)(=CCCC(C)=CCc1cc(C=O)c(CC)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -15.1

InChIKey:
QLEJUQWUHDHZDK-UHFFFAOYSA-N

ID: 70211

SMILES:
c1(C=CC)cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.315

InChIKey:
GHVSIARKUQQCIM-UHFFFAOYSA-N

ID: 70212

SMILES:
C(C)(C(=O)Oc1c(C(=O)C(C)CC)c(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -14.747

InChIKey:
FLOYCKJCQWUDHT-UHFFFAOYSA-N

ID: 70213

SMILES:
CC1=CC(c2c(O)ccc(CCOC)c2)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.283

InChIKey:
AQCMRAPKCJABDT-UHFFFAOYSA-N

ID: 70214

SMILES:
C1C(CCC2(C)C=Cc3c(ccc(OC)c3)O2)C(C)(C)C(=O)C(OC(C)=O)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -15.413

InChIKey:
RPNAQPLIHZWQLL-UHFFFAOYSA-N

ID: 70215

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)C(=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -14.881

InChIKey:
NLDDRVKECRJZKJ-UHFFFAOYSA-N

ID: 70216

SMILES:
C(OC)(=O)c1ccccc1OC(=O)CCN=C(O)c1cc2c(cc1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 477.557

CB1 binding score: -15.058

InChIKey:
KDPNRXLNYXOMFP-UHFFFAOYSA-N

ID: 70217

SMILES:
c1(O)c2c(cc3c1OCC3C)OC(C)(C)C1CCC(C)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.383

InChIKey:
VLBMNFIQXULENT-UHFFFAOYSA-N

ID: 70218

SMILES:
CC1=CC(c2ccc(CCCCC)cc2)C(C(C)=C)CC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -16.885

InChIKey:
ZGTZBRKFZJGQFD-UHFFFAOYSA-N

ID: 70219

SMILES:
C1CC(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.957

InChIKey:
XFYKOYWZVVGAEV-UHFFFAOYSA-N

ID: 70220

SMILES:
C1(CCC=C(C)C)(C)Oc2cc(O)cc(CCCCC)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.043

InChIKey:
XZKFXCQNHZRBJK-UHFFFAOYSA-N

ID: 70221

SMILES:
C(C)(C)=CCCC1(C)Oc2c(c(O)cc(CCC)c2)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 70222

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)cc(O)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.748

InChIKey:
VRXKPPYOGGSRFK-UHFFFAOYSA-N

ID: 70223

SMILES:
CC1(C)CCC=C2C1C(=O)Cc1c(CCCCCC)cccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.481

CB1 binding score: -14.101

InChIKey:
HYKQPUOWWUDHEE-UHFFFAOYSA-N

ID: 70224

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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70204–70224 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