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Molecule Identifiers
Molecular Properties

ID: 133750

SMILES:
C(CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 133751

SMILES:
C(CCCCc1cc2c(c(O)c1)C1C(CC=C(C)C1O)C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -17.648

InChIKey:
ULSRTFKGNQFBNQ-UHFFFAOYSA-N

ID: 133752

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.108

InChIKey:
PPZWAHLWZVOCDJ-UHFFFAOYSA-N

ID: 133753

SMILES:
C(CCC)Cc1cc(O)cc(O)c1C(=O)C(CC=C(C)CCC=C(C)C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.706

InChIKey:
VUCRZVJJDUDUFN-UHFFFAOYSA-N

ID: 133754

SMILES:
c1(C(OC)=O)cc(CC(C([CH])=C)CC=C(CCC=C(C)C)C)cc(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.064

InChIKey:
JIGXAPXKGUDDQA-UHFFFAOYSA-N

ID: 133755

SMILES:
C12CCC(C)=CC1c1c(cc(CCCCC)cc1O)OC(C)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.723

InChIKey:
GTLUOHHHNMCIQP-UHFFFAOYSA-N

ID: 133756

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 133757

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -17.752

InChIKey:
XOAHTHGPQALFJE-UHFFFAOYSA-N

ID: 133758

SMILES:
O(C=CC1C(CC(C)=O)c2c(cc(CCCCC)cc2O)OC1(C)C)C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.753

InChIKey:
INPWICZZTIRUKP-UHFFFAOYSA-N

ID: 133759

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2=CCC(C)(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.07

InChIKey:
PLDWTAGXXOMZKJ-UHFFFAOYSA-N

ID: 133760

SMILES:
C(CC)Cc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.935

InChIKey:
WQWOLTTULXLSHU-UHFFFAOYSA-N

ID: 133761

SMILES:
c1(CCCC)cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 133762

SMILES:
C1CC(C)=C(CCC(C)(O)C=Cc2c(O)cc(CCCCC)cc2O)C(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.591

InChIKey:
KHMJHSBARAGJSG-UHFFFAOYSA-N

ID: 133763

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 133764

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -17.267

InChIKey:
RNLDBYLYJYHPKP-UHFFFAOYSA-N

ID: 133765

SMILES:
c1c(O)c2c(cc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.987

InChIKey:
WEJIEIZJRLUNOB-UHFFFAOYSA-N

ID: 133766

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 133767

SMILES:
C12=C(OCC1C)c1cc(C)c3c(c1C(C)CC2)OC(CCCCCCCCCC)(C)C3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -13.722

InChIKey:
AIWQHUXRRCFHBY-UHFFFAOYSA-N

ID: 133768

SMILES:
C(=O)(C1C(c2c(CC=C(C)C)c(O)c(C)cc2O)C=C(C)CC1)C(C)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.035

InChIKey:
ZMEQUOHZJZHMBE-UHFFFAOYSA-N

ID: 133769

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 133770

SMILES:
CC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -19.394

InChIKey:
IQDBYPKRWVDTCI-UHFFFAOYSA-N

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133750–133770 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