Browse

Molecule Identifiers
Molecular Properties

ID: 140365

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 140366

SMILES:
c12c(cccc1)C(=O)C(CO)=CC1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.409

CB1 binding score: -15.85

InChIKey:
GZXYMJFWDLQSNX-UHFFFAOYSA-N

ID: 140367

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C1CC1C(C)(O2)CCC1=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.473

InChIKey:
IHURMXGRHNVPGB-UHFFFAOYSA-N

ID: 140368

SMILES:
C(C1C=CC2(C)Oc3c(c(OC)cc(CCCCC)c3)C1CC(C(C)=C)C2)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -14.578

InChIKey:
VUXJZGXUTKLHKJ-UHFFFAOYSA-N

ID: 140369

SMILES:
Oc1cc(O)c2c(c1C(CC(=O)C)OC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -13.6

InChIKey:
PZMDQYPVTRKGJJ-UHFFFAOYSA-N

ID: 140370

SMILES:
O1c2cc(O)cc(O)c2C2C(C1(C)C)C(C)C(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -14.492

InChIKey:
GFKISGFWRNNDCQ-UHFFFAOYSA-N

ID: 140371

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 140372

SMILES:
OC1C(CO)OC2c3c(O)cc(C)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.347

CB1 binding score: -12.904

InChIKey:
BQOGPLJZMPROEW-UHFFFAOYSA-N

ID: 140373

SMILES:
O(C(C)=O)c1c(C2C(C(C)=C)CC(O)C(C)=C2)cc(CC=C(C)C)cc1CC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -16.662

InChIKey:
DXXJBSWOZVTLMD-UHFFFAOYSA-N

ID: 140374

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

ID: 140375

SMILES:
c1c(C)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 140376

SMILES:
C1=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 140377

SMILES:
C12C(C(C)C)CCC(C)(OC(=O)C)C1Cc1cc(O)c(C)cc1OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -13.769

InChIKey:
MXEQHJGOHWIKET-UHFFFAOYSA-N

ID: 140378

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -14.309

InChIKey:
WGPCZELXUZVWOZ-UHFFFAOYSA-N

ID: 140379

SMILES:
C(CCCc1cc2c(c(O)c1)C=CC(CCC=C(C)C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.458

InChIKey:
LZFSGTNLAZDDKK-UHFFFAOYSA-N

ID: 140380

SMILES:
C(C(C)(C)c1cc(O)c2c(c1)CC1(O)C(=O)C=C(OC)C(OC(C)=O)C1(C)O2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.459

CB1 binding score: -14.749

InChIKey:
SMMSGMWGBYJAFP-UHFFFAOYSA-N

ID: 140381

SMILES:
C(C=C(C)C)CC(=CCc1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 140382

SMILES:
CC(C)=CC(c1c(O)cc(O)cc1CCCCC)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.085

InChIKey:
AKHKRLOHOJZTHY-UHFFFAOYSA-N

ID: 140383

SMILES:
C(=CCCC(C)C1C(c2c(O)cc(CCCCC)cc2OC)C=C(C)CC1)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.685

CB1 binding score: -11.588

InChIKey:
ZPFMNIZYKOTTEH-UHFFFAOYSA-N

ID: 140384

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 140385

SMILES:
C1C(C(C)C)C(O)C2C(C)(C1)Oc1c2c(O)cc(CCC=CCCCCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -15.98

InChIKey:
ABUMOTXTBWTVEE-UHFFFAOYSA-N

◀6682668366846685668666876688▶
140365–140385 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