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Molecule Identifiers
Molecular Properties

ID: 119659

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC12)CCCCCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -14.362

InChIKey:
GEAXBODEBJSJDJ-UHFFFAOYSA-N

ID: 119660

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: 119661

SMILES:
C1=CC(C)(OO)C2C1c1c(cc(CCCCC)cc1OC(CCC)=O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.531

CB1 binding score: -14.282

InChIKey:
DAQXYXNGFIBEPT-UHFFFAOYSA-N

ID: 119662

SMILES:
C1=C(C)C(=O)CC2C(C1)c1c(cc(CCCCCCCCCCCCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.749

CB1 binding score: -15.683

InChIKey:
LBIVIPQJNRFICJ-UHFFFAOYSA-N

ID: 119663

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.945

InChIKey:
BMHWBDFIQAZUEO-UHFFFAOYSA-N

ID: 119664

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: 119665

SMILES:
c12c(c(O)cc(O)c1)C(c1cc(CCCCC)cc(O)c1OC)CC(CCC=C(C)C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.228

InChIKey:
PLEGRJXMJXMDNS-UHFFFAOYSA-N

ID: 119666

SMILES:
C1(C)(C)C2CCC(C)(O)CC2c2c(O)cccc2O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -16.403

InChIKey:
JKIYASBTLQQDOV-UHFFFAOYSA-N

ID: 119667

SMILES:
c1c2c(ccc1CCCCC)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -19.248

InChIKey:
ULSCPFQNHAPIEH-UHFFFAOYSA-N

ID: 119668

SMILES:
C(CC=C(C)C)C(C1CCC2(C)Oc3c(c(O)cc(Cc4c(O)ccc(CCCCC)c4)c3CC=C(C)C)CCC21)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 574.846

CB1 binding score: -15.156

InChIKey:
PARNFTLPENVCTK-UHFFFAOYSA-N

ID: 119669

SMILES:
C1CC(C(=C)C)C(c2cc(CCCCC)cc(O)c2O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -14.428

InChIKey:
UVHJMUGIHXIWCK-UHFFFAOYSA-N

ID: 119670

SMILES:
C(C)(C1=CC(C)(OC(C)C)C(=O)C2=C1OC(C)(C)C1CCC(C)=CC12)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -15.54

InChIKey:
VOKCKWJZFWUDAH-UHFFFAOYSA-N

ID: 119671

SMILES:
C(c1cc(O)c(C2CC(=O)OC2(C)C)c(C)c1)C(C)CC(C)CC(CC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -14.18

InChIKey:
YBNJDJJQFBZWNA-UHFFFAOYSA-N

ID: 119672

SMILES:
C1CC(C(C)(O)C)C(c2c(O)cc(CCC)cc2O)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 119673

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1C2CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.769

InChIKey:
MUNSSKNESZUHES-UHFFFAOYSA-N

ID: 119674

SMILES:
CC1(C)C2C3c4c(cc(CCCCC)cc4O)OC(CC(O)(C)C1C(OC)O2)C(C)=CC3=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.595

CB1 binding score: -17.05

InChIKey:
OHVMUQPIGJPRDH-UHFFFAOYSA-N

ID: 119675

SMILES:
C(C(=O)c1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.19

InChIKey:
SEIHJYDQJGVOIG-UHFFFAOYSA-N

ID: 119676

SMILES:
c1(CC=C(C)CCC=C(C)C)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 119677

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.69

CB1 binding score: -15.184

InChIKey:
SDPVFHIPOXDHDU-UHFFFAOYSA-N

ID: 119678

SMILES:
C12(O)C(C)(C)C(O)C3(C)C(C1)C(Cc1c(O)cc(CCCCC)cc1O3)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -14.047

InChIKey:
UWGGLZKJIKHPCR-UHFFFAOYSA-N

ID: 119679

SMILES:
OC1(C)C(C)CCC(C(C)(O)C)C1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.472

CB1 binding score: -11.984

InChIKey:
VXWZMHHFBZULEH-UHFFFAOYSA-N

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119659–119679 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