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Molecule Identifiers
Molecular Properties

ID: 121381

SMILES:
O=C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(CCC=C(C)C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -17.371

InChIKey:
WSJYCSDGVHMBKB-UHFFFAOYSA-N

ID: 121382

SMILES:
c1(CC=C(CCC=C(C)C)C)c(O)cc(CCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.187

InChIKey:
ZKXZJUZIDUHJLH-UHFFFAOYSA-N

ID: 121383

SMILES:
c1(CCO)cc2c(c(O)c1)C1CC(C(=C)C)CC(O)C1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -15.107

InChIKey:
VHJMECLHLFYYHV-UHFFFAOYSA-N

ID: 121384

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 121385

SMILES:
C1(=C(C)C)C(c2c(O)c(CC=C(C)C)cc(CCCCC)c2)CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -11.781

InChIKey:
JUBXGWWYJLOTPH-UHFFFAOYSA-N

ID: 121386

SMILES:
c12c(CCCCC)cc3c(c1)OC(C)(C)C1C3C(CC2)C(CCc2ccccc2)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.649

CB1 binding score: -15.192

InChIKey:
GJVRIBHKXBNEOP-UHFFFAOYSA-N

ID: 121387

SMILES:
CCCCCc1cc(O)cc2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.291

InChIKey:
FFUWPSOUQRLGHT-UHFFFAOYSA-N

ID: 121388

SMILES:
C1(C)(C)C2CCC(CO)=CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 121389

SMILES:
c1(C)cc2c(cc1)C(C)(C)Oc1c-2cc(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.524

CB1 binding score: -14.214

InChIKey:
YUPDQTOPJIENGT-UHFFFAOYSA-N

ID: 121390

SMILES:
c12cc(CCCCC)cc(O)c1CC=C(C)CCC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -16.576

InChIKey:
HVHCJTNCQXVMKT-UHFFFAOYSA-N

ID: 121391

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)c1c-2cc(C)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.805

InChIKey:
FPNAYBZLIGJJAV-UHFFFAOYSA-N

ID: 121392

SMILES:
c12cc(CCCCC)cc(O)c1C1C(C(C)(C)O2)CC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 121393

SMILES:
c1(O)c(C)cc(OC)cc1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.334

InChIKey:
BAXJFOVNRATSHT-UHFFFAOYSA-N

ID: 121394

SMILES:
CC(=O)OC1c2c(c(O)cc(CCCCC)c2)C2(C(C)C=C1O)C(OC)OC(=O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.486

CB1 binding score: -13.99

InChIKey:
HQDAWOMGKAELLN-UHFFFAOYSA-N

ID: 121395

SMILES:
CC(C)=CCC(C(C)(O)C)CCC(=CCc1c(O)c(C(=O)O)c(CCCCC)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 488.665

CB1 binding score: -15.397

InChIKey:
DYPZJOKTBYWSKO-UHFFFAOYSA-N

ID: 121396

SMILES:
c1(O)c2c(c(O)c(CC=C(C)C)c1O)OC1(C)C(C2CCCCC)CC(O)C(C)(C)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.573

CB1 binding score: -14.993

InChIKey:
ULSCUKAXHZOFQE-UHFFFAOYSA-N

ID: 121397

SMILES:
O=C1C2(C)C(O)=C(C(=O)OC)CC(C(C)C)C2c2c(O)cc(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -14.631

InChIKey:
YSCVCKWTOBJBRN-UHFFFAOYSA-N

ID: 121398

SMILES:
c12c(CC=C(C)C)c(O)c(C=O)c(O)c1C1C=C(CCC=C(C)C)CC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.555

CB1 binding score: -15.532

InChIKey:
LYGJBCJNLIQMRB-UHFFFAOYSA-N

ID: 121399

SMILES:
C12C(CC(C)=CC1)c1c(ccc(CCCCC)c1)OCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -9.953

InChIKey:
YEEUHXVKAJEMQR-UHFFFAOYSA-N

ID: 121400

SMILES:
CC1(C)C2(CC=C(C)C)C(C)(C)Oc3cc(CCCCC)cc(O)c3C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -15.735

InChIKey:
MSFFWIMGKXOMBZ-UHFFFAOYSA-N

ID: 121401

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(OC3C(O)C(O)C(O)C(C)O3)c2C(C)CCC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.589

CB1 binding score: -15.367

InChIKey:
OMNLTXHSHMHSTI-UHFFFAOYSA-N

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121381–121401 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