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Molecule Identifiers
Molecular Properties

ID: 141751

SMILES:
c12cc(ccc1OC)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.234

InChIKey:
XKFYGBFTCMYKJB-UHFFFAOYSA-N

ID: 141752

SMILES:
Oc1cc(CCc2ccccc2)cc(OC(CCC(C)C)=O)c1C1C(C(C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.647

CB1 binding score: -11.405

InChIKey:
NRRVJVTYMTUDOY-UHFFFAOYSA-N

ID: 141753

SMILES:
c1c(C2C(C(C)=C)CCC(C)=C2)cc(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 141754

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141755

SMILES:
Oc1cc(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.968

InChIKey:
RNKSQHRRYNTMIO-UHFFFAOYSA-N

ID: 141756

SMILES:
Cc1cc(OC)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.372

InChIKey:
DQIXANCZPRGOSY-UHFFFAOYSA-N

ID: 141757

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 141758

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(Cc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)cc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 502.695

CB1 binding score: -12.769

InChIKey:
PBRIFSIDHVGZBP-UHFFFAOYSA-N

ID: 141759

SMILES:
CCCCCc1cc(OC)c(O)c2c1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.378

InChIKey:
AWIJOEDLZFMSER-UHFFFAOYSA-N

ID: 141760

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 141761

SMILES:
CC1(C)C2=CCC(C)CC2c2c(O)cc(C(CO)C(=O)C(CC)C)c(C)c2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.583

InChIKey:
KRDFKOCDEVNOKK-UHFFFAOYSA-N

ID: 141762

SMILES:
C(CC)CCc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 141763

SMILES:
c1(O)cc(CCCCC)cc2c1C1CC(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -20.541

InChIKey:
XKRHRBJLCLXSGE-UHFFFAOYSA-N

ID: 141764

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.334

InChIKey:
LMTQDQLMOBKYNY-UHFFFAOYSA-N

ID: 141765

SMILES:
CC1=CCC(c2c(O)c(O)c(CCCCC)cc2O)C(C(C)C)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -10.942

InChIKey:
FVRYJXXKSMIRHO-UHFFFAOYSA-N

ID: 141766

SMILES:
c1(CC2C=C(C)C(O)CC2C(C)=C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -16.955

InChIKey:
WOUPAWOYKZPMCE-UHFFFAOYSA-N

ID: 141767

SMILES:
C12(CC3(CC3)CC(=O)O1)C(C(C)=C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.462

CB1 binding score: -17.717

InChIKey:
HUZSJUUXKPGZOO-UHFFFAOYSA-N

ID: 141768

SMILES:
CC1(C)OC2=C(C(=O)C3(CC(C(C)(C)O)C)OC(C)(C)C=C3)CCC(=C)C2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -12.743

InChIKey:
LLZKDMIIGZQHIZ-UHFFFAOYSA-N

ID: 141769

SMILES:
CC(C(CCC(=C)CC1CC(C)=CCCC1C(C)=C)C)=CCc1cc(OC)c(C)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.707

CB1 binding score: -15.798

InChIKey:
AAJJTNMCGYMMNO-UHFFFAOYSA-N

ID: 141770

SMILES:
C1(O)C(C)(O)CC=C2C1Cc1c(ccc(CCCCC)c1)OC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -11.925

InChIKey:
RJEADMKJKKBYFH-UHFFFAOYSA-N

ID: 141771

SMILES:
Oc1c(CC=C(C)CCC2=C(C)CCC(OC(=O)C)C2(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.41

InChIKey:
ZYSCQGUYZFEKQP-UHFFFAOYSA-N

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141751–141771 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