Browse

Molecule Identifiers
Molecular Properties

ID: 76903

SMILES:
C12CC(C)(O)CCC1C(C)(C)Oc1cc(CCCCC)c(C(=O)O)cc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -16.461

InChIKey:
MJPUTYZLPCREOG-UHFFFAOYSA-N

ID: 76904

SMILES:
CC(CCCc1cc2c(c(O)c1)C1CC(C)(O1)OCC2)C1OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -15.814

InChIKey:
UJLSWOPFKWRUHB-UHFFFAOYSA-N

ID: 76905

SMILES:
O=C1C2OC2(C)CCC=C(C)COc2cc(CCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -15.835

InChIKey:
DJSFDMSUPWVRNO-UHFFFAOYSA-N

ID: 76906

SMILES:
CC1CC2C(C(C)(C)Oc3c2c(O)cc(C)c3)C2CC(C)CCC12OO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.889

InChIKey:
XVWBZXZEFRRCEI-UHFFFAOYSA-N

ID: 76907

SMILES:
C1C(CCC=C(C)C)=CCC(C(=O)CCc2c(O)cc(CCCC)cc2)C1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -11.917

InChIKey:
GSXSHNUKPYIVGR-UHFFFAOYSA-N

ID: 76908

SMILES:
Oc1c(C(C)C(=O)CC)cc(CCCc2cc(O)c(CC=C(C)CCC=C(C)C)c(OC)c2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -14.254

InChIKey:
GVENGKGXMHDLND-UHFFFAOYSA-N

ID: 76909

SMILES:
C(C=C(C)C)CC(=CCc1c(O)cc(CC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 76910

SMILES:
O=C(CC1C2(C)C(CCC1(C)C)Oc1c(c(O)cc(CCCCC)c1)C2)C=CC=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.625

CB1 binding score: -17.448

InChIKey:
MGQHFBBMENEUHB-UHFFFAOYSA-N

ID: 76911

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(CO)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 76912

SMILES:
C1(C)(CCC=C(C)C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC(O)C(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -15.088

InChIKey:
PTMHVRJJIZZFSA-UHFFFAOYSA-N

ID: 76913

SMILES:
C1(C)=CC2c3c(O)cc(C)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 76914

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1C(C(C)C)CCC(C)=C1C2)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.616

CB1 binding score: -17.388

InChIKey:
CDWWYQHLHLQCFW-UHFFFAOYSA-N

ID: 76915

SMILES:
C1(=O)CC(C)=CC(c2c(O)cc(CCCCC)cc2)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.178

InChIKey:
LEXNWGMQUPTRJM-UHFFFAOYSA-N

ID: 76916

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cccc2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.438

InChIKey:
CBEWCUWSPDDHMI-UHFFFAOYSA-N

ID: 76917

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 76918

SMILES:
C1c2c(cc(CCCCC)cc2)OC(C)(CCC=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.486

CB1 binding score: -16.248

InChIKey:
UXCXUSWKXYPWPP-UHFFFAOYSA-N

ID: 76919

SMILES:
C(C)(C)=CCCC1(C)Oc2c(c(OC)cc(CCCCCC)c2)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.056

InChIKey:
VYOOXLYVKNLAFA-UHFFFAOYSA-N

ID: 76920

SMILES:
C(CC(=CCCC(C)=CCc1c(O)cc(CCC)cc1O)C)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 356.55

CB1 binding score: -18.934

InChIKey:
LDZQKZLPWVBJOB-UHFFFAOYSA-N

ID: 76921

SMILES:
CC1(C)C(c2c(O)cc(CCCC(C)O)cc2O)(C)CCC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.446

CB1 binding score: -15.411

InChIKey:
MXDPUEGDZIYINX-UHFFFAOYSA-N

ID: 76922

SMILES:
O1C2CC(C)C(=O)CC2C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.476

CB1 binding score: -15.095

InChIKey:
QMRDBOMJMBVNED-UHFFFAOYSA-N

ID: 76923

SMILES:
C(CCCCC)(c1c(C(=O)O)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -15.345

InChIKey:
UZRXURXHDIPDTQ-UHFFFAOYSA-N

3660366136623663366436653666
76903–76923 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