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Molecule Identifiers
Molecular Properties

ID: 101284

SMILES:
C1CC2C(C)(C)Oc3c(c(OC)cc(CCCCC)c3)C2CC1C(C=O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.272

InChIKey:
FIMXGLPOWXKALR-UHFFFAOYSA-N

ID: 101285

SMILES:
c1(C(OC)=O)c(O)c2c(cc1CCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.015

InChIKey:
YYZMKZXBSRAJNI-UHFFFAOYSA-N

ID: 101286

SMILES:
Oc1cc(O)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -19.859

InChIKey:
WRBRAMOWKIFTPD-UHFFFAOYSA-N

ID: 101287

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.695

InChIKey:
KBOLXIRMQMBLCD-UHFFFAOYSA-N

ID: 101288

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 101289

SMILES:
c1(CCCCCC)cc2c(c(O)c1)C1CC(C(=C)C)CCC2(C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.306

InChIKey:
UGLFUKAWBSTCEU-UHFFFAOYSA-N

ID: 101290

SMILES:
O1c2cc(CCCCC)cc(O)c2C(=O)C2=C1C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -14.084

InChIKey:
UPZYORXZOOGJFS-UHFFFAOYSA-N

ID: 101291

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 101292

SMILES:
C1CC2(C)Oc3c(c(O)cc(C(C)CC)c3)C2CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -14.689

InChIKey:
SENBDYWGMHYATQ-UHFFFAOYSA-N

ID: 101293

SMILES:
C1CC(C)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C1)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.646

InChIKey:
FIIKWIAIXBJTFC-UHFFFAOYSA-N

ID: 101294

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.412

InChIKey:
BTOBCSBNWDHYQM-UHFFFAOYSA-N

ID: 101295

SMILES:
C(C)(CCC=C(C)C)=CCc1c(O)cc(CCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.187

InChIKey:
ZKXZJUZIDUHJLH-UHFFFAOYSA-N

ID: 101296

SMILES:
C1=C(C)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.334

InChIKey:
JRPARYVCKDQCGY-UHFFFAOYSA-N

ID: 101297

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.332

InChIKey:
XZWKSKOUODSSCT-UHFFFAOYSA-N

ID: 101298

SMILES:
C(CCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.188

InChIKey:
GGHRHCGOMWNLCE-UHFFFAOYSA-N

ID: 101299

SMILES:
O(c1c(C)c2c(c(OC)c1OC)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.267

InChIKey:
SVPYQFPWYAJGCB-UHFFFAOYSA-N

ID: 101300

SMILES:
c1(CCC)cc(O)c(C2C3C(C(=O)CCC3C)C(C)(C)O2)cc1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -14.638

InChIKey:
ADPAPNCTIKUEFR-UHFFFAOYSA-N

ID: 101301

SMILES:
C(CC)CCc1c2c(c(O)c(C(=O)CCC)c1)OC(C)(C)C1CCC(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -14.592

InChIKey:
LAQYEGRYRSXNHI-UHFFFAOYSA-N

ID: 101302

SMILES:
C1(C)=CC(c2c(O)cc(C(=O)O)c(CCCCC)c2O)C2(C)CCC(C(C)=C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.508

InChIKey:
MYOLGSQGCIBSBE-UHFFFAOYSA-N

ID: 101303

SMILES:
c1c(CCCCC)c2c(c(O)c1)CC1C(C)(O2)CCCC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.731

InChIKey:
KFSSYICYUUVPPR-UHFFFAOYSA-N

ID: 101304

SMILES:
ClC12c3c(O)cc(C)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.806

CB1 binding score: -14.706

InChIKey:
PNXHPAWDMDUIPK-UHFFFAOYSA-N

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101284–101304 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