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Molecule Identifiers
Molecular Properties

ID: 74362

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)C(OC(C)=O)CC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -17.976

InChIKey:
PGFFULLVBBCSMB-UHFFFAOYSA-N

ID: 74363

SMILES:
c1(O)c2c(cc(CCCC)c1O)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.334

InChIKey:
LIFIGNLFWIMGAU-UHFFFAOYSA-N

ID: 74364

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCCO)cc2O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.184

InChIKey:
ZKGKOAJUWMGRFB-UHFFFAOYSA-N

ID: 74365

SMILES:
O1C2c3c(O)cc(CCCCC)cc3OC(C)(C)C13CC(C)(C)C3C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.123

InChIKey:
GWKDRROMEHCECL-UHFFFAOYSA-N

ID: 74366

SMILES:
C12C(=C)CCC(C(C)=C)C1c1c(O)cc(CCCCC)cc1OC2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -14.552

InChIKey:
BVDGZJIYUQPAKZ-UHFFFAOYSA-N

ID: 74367

SMILES:
C(CCC)Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.841

InChIKey:
UKPNRAMYBFBWKV-UHFFFAOYSA-N

ID: 74368

SMILES:
CC1(C)CC(=O)CC2(C)Oc3c(c(O)cc(CCCCC)c3)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.218

InChIKey:
NZJAZEIURWPQHP-UHFFFAOYSA-N

ID: 74369

SMILES:
C(C)(C1C(c2c(O)cc(CCCCC)cc2)C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -18.957

InChIKey:
XFYKOYWZVVGAEV-UHFFFAOYSA-N

ID: 74370

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C(C)C)C3OC(C1(C)O2)C3)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.853

InChIKey:
IZKHRLBJJQWDGR-UHFFFAOYSA-N

ID: 74371

SMILES:
C1(C)(O)CCC2c3c(cc(CCCCC)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.679

InChIKey:
PLONCQVTGGBUST-UHFFFAOYSA-N

ID: 74372

SMILES:
O1c2c(c(O)cc(CCCCC)c2C(=O)OC)C2C(C)(CC1)C(Br)CC(C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 493.482

CB1 binding score: -10.333

InChIKey:
ZBRKIGQOHZOCLS-UHFFFAOYSA-N

ID: 74373

SMILES:
Oc1ccccc1C(=O)Oc1c(CC(O)C(CO)C)c(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.573

CB1 binding score: -12.762

InChIKey:
PYLOWKSVBFRVLS-UHFFFAOYSA-N

ID: 74374

SMILES:
CC(C(=O)c1cc(O)c2c(c1O)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.135

InChIKey:
KKCHZSIIYIDSPO-UHFFFAOYSA-N

ID: 74375

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 74376

SMILES:
C12C(C)(C)Oc3cc(CCc4ccccc4)c(CC=C(C)C)c(O)c3C1C(C)(O)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -13.715

InChIKey:
GKOHHBBRJRTITA-UHFFFAOYSA-N

ID: 74377

SMILES:
C(C)(C)=CC(CC(c1c(O)cc(CCCCC)cc1O)C1=CCC(C)(C)O1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.768

InChIKey:
XLNUGTKDALQUCR-UHFFFAOYSA-N

ID: 74378

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -19.284

InChIKey:
GJHUUCABDYFFDB-UHFFFAOYSA-N

ID: 74379

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -19.944

InChIKey:
PXPDKUHGJIMKBA-UHFFFAOYSA-N

ID: 74380

SMILES:
c12c(cc3c(c1)CC1C(C)(O3)OCC1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.679

InChIKey:
FZYXZOVMAWFCOT-UHFFFAOYSA-N

ID: 74381

SMILES:
C(=O)(C)CC(CC(=CCc1c(O)c(C)cc(OC)c1)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.239

InChIKey:
YPEOXBGYQGNWBY-UHFFFAOYSA-N

ID: 74382

SMILES:
C1(C)=CC2C(CC1=O)C(C)(C)Oc1cc(C)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -17.007

InChIKey:
YNNIWLBXUQCURC-UHFFFAOYSA-N

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74362–74382 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