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Molecule Identifiers
Molecular Properties

ID: 135976

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 135977

SMILES:
CC(OC1CC2C(C)(C)Oc3cc(C)cc(OC)c3C2C=C1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -8.007

InChIKey:
HJCBHRCRJQPSRT-UHFFFAOYSA-N

ID: 135978

SMILES:
c1(CC(C)C)cc(O)c2c(c1)OC(C)(C)C1CC=C(C=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.796

InChIKey:
VWSLHLUURVDWEV-UHFFFAOYSA-N

ID: 135979

SMILES:
O1c2c(c(O)cc(CCCCC)c2)CC2C(C(=CC)C=O)CC(C(=C)C)CC=C(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -16.714

InChIKey:
TUPOJRKLBIJWNG-UHFFFAOYSA-N

ID: 135980

SMILES:
c1c(O)c(CC=C(CCC=C(C)CCC=C(C)C)C)c(OC(=O)C)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -17.817

InChIKey:
DOBIHFILNCXYQS-UHFFFAOYSA-N

ID: 135981

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)(C)C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.101

InChIKey:
HMKCZJODQIZAAT-UHFFFAOYSA-N

ID: 135982

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCC(O)C(C)(O)C)cc2O)C1(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.482

CB1 binding score: -16.732

InChIKey:
QMWPWXGFOJAPRF-UHFFFAOYSA-N

ID: 135983

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.869

InChIKey:
CDBQWTXSMSYRJD-UHFFFAOYSA-N

ID: 135984

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.034

InChIKey:
BCRGLEIOCDMDHR-UHFFFAOYSA-N

ID: 135985

SMILES:
CC1(C)Oc2ccc(C(=O)OC)cc2C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -17.44

InChIKey:
DQPOCJSRGRWBHT-UHFFFAOYSA-N

ID: 135986

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -13.651

InChIKey:
QZGNBDLYURSOAX-UHFFFAOYSA-N

ID: 135987

SMILES:
C(C1(C)C(OC(=O)C)c2c(cc(CCCCC)cc2OC(=O)C)O1)(OC)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.465

CB1 binding score: -15.822

InChIKey:
VBHGINTUEGFMKT-UHFFFAOYSA-N

ID: 135988

SMILES:
C(CC=C(C)CCC=C(C)C)C1(C)C=Cc2c(O)cc(CC(CC)O)cc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.151

InChIKey:
LQNRFHSDOKNZIE-UHFFFAOYSA-N

ID: 135989

SMILES:
C1(=O)C(C)=CC2c3c(cc(C)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.344

CB1 binding score: -18.466

InChIKey:
OOSGYAFEZCZRRA-UHFFFAOYSA-N

ID: 135990

SMILES:
C12C(C=C(C)CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135991

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.854

InChIKey:
KODLVUMIGKBCDD-UHFFFAOYSA-N

ID: 135992

SMILES:
c1c(OCCCC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -15.134

InChIKey:
OODDUEZNAZLMJC-UHFFFAOYSA-N

ID: 135993

SMILES:
C1(C)(C)Oc2c(c(O)cc3c2C2C(C(=C)C)CCC(C)=CC23)CC1C(C)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -13.522

InChIKey:
FIQKHXVNWFLHRX-UHFFFAOYSA-N

ID: 135994

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 135995

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 135996

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -18.629

InChIKey:
YEDIZIGYIMTZKP-UHFFFAOYSA-N

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135976–135996 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