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Molecule Identifiers
Molecular Properties

ID: 119764

SMILES:
CC1(C)Oc2c(c(O)c(OC)cc2CBr)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 367.283

CB1 binding score: -16.889

InChIKey:
GGGVEUXQPPAMAM-UHFFFAOYSA-N

ID: 119765

SMILES:
c1(C)c2c(ccc1O)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.218

InChIKey:
PPQGSYXZPWMEOQ-UHFFFAOYSA-N

ID: 119766

SMILES:
Oc1c(CC=C(CCC=C(CCC=C(C)C)C)C)c(O)cc(CCCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.685

CB1 binding score: -11.917

InChIKey:
ZYBIATVEYOLYOA-UHFFFAOYSA-N

ID: 119767

SMILES:
CC1(C)OC1CCC1(C)Oc2cc(C)cc(C)c2CC1CCO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -12.169

InChIKey:
HNVAFBMGVGPWMP-UHFFFAOYSA-N

ID: 119768

SMILES:
C1(C(C)C)CC(O)C(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.238

InChIKey:
BJYXQJGARPKCEI-UHFFFAOYSA-N

ID: 119769

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(OC)cc(CCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.499

InChIKey:
CDCJUBPCFJBDNF-UHFFFAOYSA-N

ID: 119770

SMILES:
C(CC)c1ccc(O)c(C2C=C(C)CCC2C(C)=C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.28

InChIKey:
DCDBRWFMISWJED-UHFFFAOYSA-N

ID: 119771

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCCCC)c2)C2CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.288

InChIKey:
PCEVQDHQJXBBMQ-UHFFFAOYSA-N

ID: 119772

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -15.174

InChIKey:
VEABDNXJDNVRGP-UHFFFAOYSA-N

ID: 119773

SMILES:
C(CC)CCCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 119774

SMILES:
C1CC(C)=CC(c2c(O)ccc(CCN(C)C)c2)C1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 299.458

CB1 binding score: -17.957

InChIKey:
JVTBDUWWCYUSCG-UHFFFAOYSA-N

ID: 119775

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.713

InChIKey:
DJLXWMLEIDOZHP-UHFFFAOYSA-N

ID: 119776

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 119777

SMILES:
C12(C)Oc3cc(=O)oc(C(C)C(CC)C)c3CC1C1(C)C(CC2)C(C)(C)OC(=O)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.07

InChIKey:
WDKINHZYBKVVCK-UHFFFAOYSA-N

ID: 119778

SMILES:
c1(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.225

InChIKey:
BEXSRXTVRHPHGL-UHFFFAOYSA-N

ID: 119779

SMILES:
C12(C)OCC(C)C1C21Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -14.752

InChIKey:
AOOHRKIQHWZFHZ-UHFFFAOYSA-N

ID: 119780

SMILES:
C1(c2cc(O)c(C)cc2O)C(C)CCC(C)=C1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.395

InChIKey:
GWCKAAPDOQWSOV-UHFFFAOYSA-N

ID: 119781

SMILES:
C(CCNCc1cc(O)c(C2(C)C3(C)CC2CC3)c(O)c1)CC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 345.527

CB1 binding score: -13.357

InChIKey:
BDGBCHQZSQUQBG-UHFFFAOYSA-N

ID: 119782

SMILES:
C1(O)C2C(C(C)(C)Oc3cc(CCCCCC)cc(O)c31)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -14.152

InChIKey:
VLWLLXRRWRUQAY-UHFFFAOYSA-N

ID: 119783

SMILES:
C1(CCC(C)=CCc2c(O)cc(C)cc2O)C(=O)OC(C(C)(OC(C)=O)C2CC(C(C)(O)C)(O)CCC2(C)O)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 588.738

CB1 binding score: -14.221

InChIKey:
YCESHLWGTBOVAS-UHFFFAOYSA-N

ID: 119784

SMILES:
Oc1c(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

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119764–119784 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