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Molecule Identifiers
Molecular Properties

ID: 84967

SMILES:
C1(O)C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(=O)OC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -14.365

InChIKey:
XUFVACSYCSULIP-UHFFFAOYSA-N

ID: 84968

SMILES:
c1cc(C)c2c(c1)CC(C(C)C)(O)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.099

InChIKey:
YOYLLXSQMDQYJE-UHFFFAOYSA-N

ID: 84969

SMILES:
C(C)OC(CCCc1cc2c(c(O)c1)C1C(C(CC)CCC=C(C)C)(C(C)=CCC1C(C)=C)CCC(C)=C2)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.809

CB1 binding score: -14.465

InChIKey:
HHBXJXFPBZNXIB-UHFFFAOYSA-N

ID: 84970

SMILES:
Cc1cc(O)cc2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.472

InChIKey:
MRMJKDJYMLWPGM-UHFFFAOYSA-N

ID: 84971

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(CO)C)CCC1(C)O2)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.565

CB1 binding score: -13.552

InChIKey:
AXZZZDSPNPKVPZ-UHFFFAOYSA-N

ID: 84972

SMILES:
C(Cc1c2cc(c(C(C)(C=C)C)c1)OC(C)(C)C1C2c2c(cc(CCCCC)c(C(=O)O)c2O)O1)CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 548.764

CB1 binding score: -14.375

InChIKey:
YRUXIWPOUQRCCH-UHFFFAOYSA-N

ID: 84973

SMILES:
Oc1c(C(C)C(CC)O)cc(O)c2c1OC(C)(C)C1CCC(CO)(O)C(OC)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.507

CB1 binding score: -15.894

InChIKey:
SHFVSPCVPZMBCQ-UHFFFAOYSA-N

ID: 84974

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 84975

SMILES:
C(Cc1c(CCCCC)cc2c(c1O)C=CC(CCC=C(C)C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.097

InChIKey:
TYVZIXPPFXHYMP-UHFFFAOYSA-N

ID: 84976

SMILES:
C(CCCCCC)c1cc2c(c(O)c1)C1C=C(COC(C)=O)CC3C(C(=C)C)(OO)CC13C(=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.589

CB1 binding score: -15.859

InChIKey:
IRXUGSWNDXXTKO-UHFFFAOYSA-N

ID: 84977

SMILES:
C=C(C1=CCC(C)=CC1c1c(O)cc(CCCCC)cc1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -15.561

InChIKey:
SKYGTIOXDWCSTG-UHFFFAOYSA-N

ID: 84978

SMILES:
c1(CCC)cc2c(c(O)c1)C1CC(C)(O)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.509

InChIKey:
XAJXLANJASZEBB-UHFFFAOYSA-N

ID: 84979

SMILES:
C1(=O)C(C)=CC2Oc3c1c(O)cc(CCCCC)c3OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -16.759

InChIKey:
CFHHXRGSLSNPNO-UHFFFAOYSA-N

ID: 84980

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2(O)CCC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.407

InChIKey:
VGRSCQCCQRLAHM-UHFFFAOYSA-N

ID: 84981

SMILES:
c1(O)c(CCCC)cc(O)c2c1OC(C)(C)C1C2C=C(CO)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -14.626

InChIKey:
IPBLVALJHYMAJO-UHFFFAOYSA-N

ID: 84982

SMILES:
c1c(CC)cc(O)c(C2C=C(C)CCC2C(=C)C)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 84983

SMILES:
C(=C(C)CCC=C(C)CCC=C(C)C)Oc1cc(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.812

InChIKey:
BOKPQCHSDZFCOJ-UHFFFAOYSA-N

ID: 84984

SMILES:
C1(O)C(C)(C)OC(C(C=C2OC(=O)C=C2C)O)(C)C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.363

CB1 binding score: -14.91

InChIKey:
KNLCNJHZUWLODU-UHFFFAOYSA-N

ID: 84985

SMILES:
C12C(C)(C)C3C(O)C(=O)C1COC2c1c(cc(CCCC)cc1O)O3

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -11.37

InChIKey:
UGWLLHCNULGNFQ-UHFFFAOYSA-N

ID: 84986

SMILES:
O1C(=O)c2ccc3c(c2C1)OC(C)(C)C1C3CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.355

CB1 binding score: -15.552

InChIKey:
LSIUCXCYORGMRJ-UHFFFAOYSA-N

ID: 84987

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=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

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84967–84987 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