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Molecule Identifiers
Molecular Properties

ID: 138202

SMILES:
O(c1cc(C)c(C2C(C(C)=C)CC(O)C(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -15.028

InChIKey:
FNMJGJYVWXFPLV-UHFFFAOYSA-N

ID: 138203

SMILES:
C1(C)=CC(c2c(O)cc(OC)c(CC=C(C)C)c2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.987

InChIKey:
CJBNOZFKDSMGAK-UHFFFAOYSA-N

ID: 138204

SMILES:
CC(=CCc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CCC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.332

InChIKey:
IYDOZIMBQKAILC-UHFFFAOYSA-N

ID: 138205

SMILES:
Oc1c2ccc(c1)Oc1cc(CCCCC)ccc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -12.915

InChIKey:
USJYUVACXPEFMR-UHFFFAOYSA-N

ID: 138206

SMILES:
C(c1cc(O)c(C2C(C(C)=C)CC=C(C)C2)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.044

InChIKey:
BFJJWXDZKVDBEX-UHFFFAOYSA-N

ID: 138207

SMILES:
CC(C)=CCc1c(O)c(CC=C(C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.268

InChIKey:
ZVLQJRXSGVAHOI-UHFFFAOYSA-N

ID: 138208

SMILES:
c12c(C)cc(OC)c(OC)c1C1C=C(C(=O)OC)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -16.502

InChIKey:
OKUURMQHEAHTMK-UHFFFAOYSA-N

ID: 138209

SMILES:
CC(=CCCC1(C)Oc2c(c(O)cc(C)c2)C=C1)C(=O)CC1OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -14.712

InChIKey:
SWDUDBAIYYEOFP-UHFFFAOYSA-N

ID: 138210

SMILES:
C1(C(=C)C)C2OC(=O)C3(C)OC3CCC(C)(Oc3cc(CCCCC)cc(O)c31)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.429

InChIKey:
QYWZYTGNRNCNLQ-UHFFFAOYSA-N

ID: 138211

SMILES:
CC(C)=CCCC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 138212

SMILES:
CC1=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1CCC(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -14.69

InChIKey:
FOKSWTQHIMYGJA-UHFFFAOYSA-N

ID: 138213

SMILES:
Oc1cc(C)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 138214

SMILES:
O=C(CCc1ccc2c(c1O)OC(C)(C)C1C2CC(C)=CC1)OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -14.307

InChIKey:
SNBIRDFKYIJVLQ-UHFFFAOYSA-N

ID: 138215

SMILES:
c1(O)c2c(c(O)cc1CCCCC)C1CC(C)(C)CC1C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -15.519

InChIKey:
HUYOTPDGINCMNL-UHFFFAOYSA-N

ID: 138216

SMILES:
C1CC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C2C1C(=O)CC(C=C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -13.862

InChIKey:
YBYYUYGGRQONKX-UHFFFAOYSA-N

ID: 138217

SMILES:
C1C(C(C)=C)C2c3c(cc(CCCCC)cc3O)OC(C)(CC2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.96

InChIKey:
CCRAUZYZLMVFDQ-UHFFFAOYSA-N

ID: 138218

SMILES:
c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 138219

SMILES:
CC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 138220

SMILES:
c1c(CCCCC)cc2c(c1O)CC1CC(=C2C)CC(O)C(C)(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: Not available

InChIKey:
JSKMRLBRKGSTCQ-UHFFFAOYSA-N

ID: 138221

SMILES:
C12C(C(C)(C)Oc3cc(C)c(O)cc31)CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 274.36

CB1 binding score: -17.257

InChIKey:
MNPCEYGBWUUWFA-UHFFFAOYSA-N

ID: 138222

SMILES:
O1C2=C(C(O)C(C)C)c3c(cc(CCCCC)cc3OC2CC(=C)C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.659

InChIKey:
PIDIPBVBZNULGD-UHFFFAOYSA-N

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138202–138222 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