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Molecule Identifiers
Molecular Properties

ID: 119239

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 119240

SMILES:
C1C(C=O)=CC2c3c(O)cc(CCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.388

InChIKey:
PIKSJDGBORBNLV-UHFFFAOYSA-N

ID: 119241

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 119242

SMILES:
C(=CCC1C2CC=C(C)C2C(OCCCCC)=CC1C)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.502

CB1 binding score: -15.532

InChIKey:
FZLFFZHDHOMMLU-UHFFFAOYSA-N

ID: 119243

SMILES:
c1c(CCC)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.28

InChIKey:
DCDBRWFMISWJED-UHFFFAOYSA-N

ID: 119244

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 119245

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 119246

SMILES:
O1c2cc(C)cc(O)c2C2C=C(C)C1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -17.013

InChIKey:
JUDFWSHCIDAHQW-UHFFFAOYSA-N

ID: 119247

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1CC(C)=CCCC1(C)C(CCC(COC(C)=O)=CC2=O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 538.725

CB1 binding score: -15.265

InChIKey:
KREISEUGOHDXCB-UHFFFAOYSA-N

ID: 119248

SMILES:
Brc1c(CC=C(C)CCC=C(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 379.382

CB1 binding score: -17.671

InChIKey:
USMFYASDWRKLAC-UHFFFAOYSA-N

ID: 119249

SMILES:
CC1CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)C(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -17.487

InChIKey:
PCWXQHBLXIJEMS-UHFFFAOYSA-N

ID: 119250

SMILES:
O1C(C)(C)C2(C(C(=CCc3cc(O)c(C)cc3OC)C)O1)CC=C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -13.17

InChIKey:
AACDRLKKMLVDTE-UHFFFAOYSA-N

ID: 119251

SMILES:
OC(Cc1c(O)c2c(c(O)c1)C1C(CCC(=C)C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -11.123

InChIKey:
HWMJVZPGZCXJSF-UHFFFAOYSA-N

ID: 119252

SMILES:
C1=CC(CO)=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.883

InChIKey:
UHPCEWLXTUJHSB-UHFFFAOYSA-N

ID: 119253

SMILES:
c12cc(CCCCC)cc(O)c1C1C(C(C)(CCC=C(C)C)O1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.687

InChIKey:
LSDOECGWLDIEQA-UHFFFAOYSA-N

ID: 119254

SMILES:
c1(O)cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.218

InChIKey:
UZWBOVFGUISXLX-UHFFFAOYSA-N

ID: 119255

SMILES:
C1C(Oc2cc(CCCCC)cc(O)c2O)C(C(O)(CCC=C(C)C)C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -14.255

InChIKey:
GTEMUSSLIXAVKD-UHFFFAOYSA-N

ID: 119256

SMILES:
C12C(C)(C)Oc3cc(C)cc(O)c3C1C=C(C)CCC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -19.059

InChIKey:
JMYBKJCCJUGSCY-UHFFFAOYSA-N

ID: 119257

SMILES:
c1(O)c(O)c(C(=O)C)c(OC2C(C(C)=C)CCC3(C)OC23)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -15.706

InChIKey:
VPXHXGRXPFXRKL-UHFFFAOYSA-N

ID: 119258

SMILES:
C1(=O)OC2(CC1C(=C)C)Oc1c2c(O)cc(C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 246.262

CB1 binding score: -18.412

InChIKey:
MLLYONFVYCFFHK-UHFFFAOYSA-N

ID: 119259

SMILES:
c1(O)c2c(ccc1CCCCC)OC(C)(C)C1C2CC(CO)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -13.341

InChIKey:
TZMZMNFRCSFPOF-UHFFFAOYSA-N

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119239–119259 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