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Molecule Identifiers
Molecular Properties

ID: 36730

SMILES:
C12(C)C=Cc3c(O)cc(CCC)cc3OC13C(C)(C(C)CC2=O)CC(C(O)(C)C)O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -15.109

InChIKey:
NZVXPNVABNGJTM-UHFFFAOYSA-N

ID: 36731

SMILES:
CC(=C)Cc1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.288

InChIKey:
QJZJGBDWWGUHKL-UHFFFAOYSA-N

ID: 36732

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 36733

SMILES:
C1(=O)CC2(c3c(cc(CCCCC)cc3O)OC2)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.929

InChIKey:
MHZRBJVSNSUHKA-UHFFFAOYSA-N

ID: 36734

SMILES:
C(Cc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(C)=C)(C)(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.401

InChIKey:
GAENPVWTWCKVJQ-UHFFFAOYSA-N

ID: 36735

SMILES:
c1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.189

InChIKey:
AIOSXAOKGBOYPS-UHFFFAOYSA-N

ID: 36736

SMILES:
C1C(C)C2(C(=O)OC)CC(CC=C2C)C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.33

InChIKey:
QNIIYRYVVFNNTA-UHFFFAOYSA-N

ID: 36737

SMILES:
c1c2c(cc(CCCCC)c1)OC(C(O)(C)C)C1CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.199

InChIKey:
XIHPRTSHTQKDQE-UHFFFAOYSA-N

ID: 36738

SMILES:
C(C)CCCc1cc(O)c(CC=C(CCC=C(C)CCC=C(C)C)C)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -17.351

InChIKey:
SQRVZRBFCFPASS-UHFFFAOYSA-N

ID: 36739

SMILES:
C(=O)(C)CCC1=CC(O)CC2(C)Oc3c(c(O)cc(CCCC)c3)C3C2C1(C)C=C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -17.051

InChIKey:
ADKVXGJCUTZGHI-UHFFFAOYSA-N

ID: 36740

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.975

InChIKey:
DHXIVHTVASKKFZ-UHFFFAOYSA-N

ID: 36741

SMILES:
C1(C)C2(C)C3(Oc4c(c(O)cc(CCCCC)c4)C3C=C(C)CC2)OC(C(C)(OC(=O)C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.677

CB1 binding score: -14.92

InChIKey:
ZEYNVIMFWBUBNE-UHFFFAOYSA-N

ID: 36742

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)C=C(C(O)=O)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 36743

SMILES:
C1C(=O)CC(C)(C)C(c2c(O)cc(CCCCC)cc2)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.313

InChIKey:
DOWLRPLPILBBDL-UHFFFAOYSA-N

ID: 36744

SMILES:
CC(C)=CCCC1(C)C(O)Cc2cc(c(O)cc2C)C(=O)C(CCCC)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -12.165

InChIKey:
ZPGVZRRGOYVCAA-UHFFFAOYSA-N

ID: 36745

SMILES:
C1(CO)C(O)C(O)C(O)C(OCc2cc(O)c(CC=C(CCC=C(C)C)C)c(O)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.517

CB1 binding score: -16.479

InChIKey:
VSQMRHHUUJXKAL-UHFFFAOYSA-N

ID: 36746

SMILES:
Cc1c2c(c3c(c1)C(=O)C(C)C3O)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -11.841

InChIKey:
USVXANHWHHVNRJ-UHFFFAOYSA-N

ID: 36747

SMILES:
C1CC(O)C(=C)C2CC3(c4c(cc(CCC(=O)O)cc4O)OC3(C)C)CC12C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -13.529

InChIKey:
YFJSYSXHFMMPGY-UHFFFAOYSA-N

ID: 36748

SMILES:
C(CCO)(c1c(O)cc(O)c2c1OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.745

InChIKey:
MIAVKLIOKARIET-UHFFFAOYSA-N

ID: 36749

SMILES:
c1(CCCCC)cc(O)c(C2C=C(C)CCC2C(CCC=C(C)C)(O)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -19.284

InChIKey:
GJHUUCABDYFFDB-UHFFFAOYSA-N

ID: 36750

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(CO)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -16.477

InChIKey:
TYGLNXWVZHVBMK-UHFFFAOYSA-N

1747174817491750175117521753
36730–36750 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