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Molecule Identifiers
Molecular Properties

ID: 134485

SMILES:
O1c2c(c(O)c(C(O)=O)c(CCCCC)c2)C2C=C(C)CCC12C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.097

InChIKey:
OFZQFXOXOTWQDQ-UHFFFAOYSA-N

ID: 134486

SMILES:
C1(CC(C)(C)C=C)c2c(O)cc(CCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -13.55

InChIKey:
BEUVNDJMHFSICV-UHFFFAOYSA-N

ID: 134487

SMILES:
c12c(c(O)cc(CCCCC)c1)C1=C(C)C(=O)OC1(O)CC(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.396

CB1 binding score: -13.652

InChIKey:
BDLUQUREEWHVOF-UHFFFAOYSA-N

ID: 134488

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2cc(O)c(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -19.623

InChIKey:
MUNXTPXTGBOZLU-UHFFFAOYSA-N

ID: 134489

SMILES:
C1C(C)=CC2c3c(O)cc(CCC)cc3OC(C(C)(O)C)CCC(=C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -14.416

InChIKey:
ZZHJVRJPEYDPSW-UHFFFAOYSA-N

ID: 134490

SMILES:
C1(C)=CC(c2cc(CCCCC)cc(O)c2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 134491

SMILES:
C1(c2ccc(O)cc2)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(C)C)CCC12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -16.405

InChIKey:
XQJXCAUUJDALAO-UHFFFAOYSA-N

ID: 134492

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2Cc3cc(ccc3O)C(=O)OC1CC(C)=CCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.629

CB1 binding score: -14.541

InChIKey:
RMBGUDQFHVUFKD-UHFFFAOYSA-N

ID: 134493

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1CC(C)(CCC1(CO)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -15.404

InChIKey:
AWDQDRDOLFRQMO-UHFFFAOYSA-N

ID: 134494

SMILES:
C(Cc1c2c(c(O)cc1O)C1C(C(C)(C)O2)CCC(C)=C1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.181

InChIKey:
QEEVXBLBSIZXSH-UHFFFAOYSA-N

ID: 134495

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 134496

SMILES:
C(=C)C(c1c(O)cc(CCCCC)cc1O)C1CC2(C)C(C)(O2)CO1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -13.654

InChIKey:
NMBPKYPNGVQFLO-UHFFFAOYSA-N

ID: 134497

SMILES:
O1c2cc(C)cc(O)c2C2C1(O)C(C)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -15.033

InChIKey:
ARXXODOTRUAVTE-UHFFFAOYSA-N

ID: 134498

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C3=C1C(=O)CCC3(C)C)OOC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -13.529

InChIKey:
RDEKRCXGFCOJIG-UHFFFAOYSA-N

ID: 134499

SMILES:
C(C)(=CC(=O)c1c(O)c2c(cc1O)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -14.801

InChIKey:
CVWCCBLIQOAVEY-UHFFFAOYSA-N

ID: 134500

SMILES:
CC1(C)C2CC(OC(=O)C)C(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.795

InChIKey:
MJMMNEYCKDHVFD-UHFFFAOYSA-N

ID: 134501

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c(CC=C(CCC=C(C)C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -18.085

InChIKey:
UHPQVMVEJWPWDW-UHFFFAOYSA-N

ID: 134502

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCCCCCCCC)c2)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.528

CB1 binding score: -14.782

InChIKey:
JUJSPPIAFWXGGB-UHFFFAOYSA-N

ID: 134503

SMILES:
c1(O)c(C2(C)CC(=CCC=C(C)C)CC2)c(O)cc(CC(C)(O)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.453

InChIKey:
XCSAXFYJFMGPRU-UHFFFAOYSA-N

ID: 134504

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2)=C(C)CCO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -13.576

InChIKey:
MCPDFZMOADHMRF-UHFFFAOYSA-N

ID: 134505

SMILES:
C(C=C(CCC=C(C)C)C)Oc1cc(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.155

InChIKey:
OQSSISRTOAYCIQ-UHFFFAOYSA-N

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134485–134505 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