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Molecule Identifiers
Molecular Properties

ID: 127534

SMILES:
c12c(ccc(CCCCC)c1)C1C(C2(C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -17.057

InChIKey:
JVVGGPWMKVGRMR-UHFFFAOYSA-N

ID: 127535

SMILES:
O1CCC2C(C(C)(O)CO2)c2c1cc(CCCCC)cc2O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 306.402

CB1 binding score: Not available

InChIKey:
WSAZTODKDAOWAT-UHFFFAOYSA-N

ID: 127536

SMILES:
C1CC(C(=CCCC(C)=CCc2c(O)c(C)cc(O)c2)C)OC1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.083

InChIKey:
UAKFCLCNCSJFSQ-UHFFFAOYSA-N

ID: 127537

SMILES:
C(C)(=CCCC1(C)C=Cc2c(O)cc(CCC)cc2O1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.334

InChIKey:
AAXZFUQLLRMVOG-UHFFFAOYSA-N

ID: 127538

SMILES:
C12C(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 127539

SMILES:
CC1CC(OC(=O)C)C2C3C(O)(C)CCC(C(C)C)C(c4c(O)cc(CCCCC)cc4O3)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.666

CB1 binding score: -14.822

InChIKey:
DGAUCJJMDUZUFI-UHFFFAOYSA-N

ID: 127540

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.964

InChIKey:
DMJVNNFBMZZLFB-UHFFFAOYSA-N

ID: 127541

SMILES:
CCCCCc1c(O)c2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.349

InChIKey:
PVWKYDHSQZSCHQ-UHFFFAOYSA-N

ID: 127542

SMILES:
c1(O)cc(C)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 127543

SMILES:
C(C1CCC(C)=CC1c1c(O)cc(CCCC)cc1O)(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 127544

SMILES:
C1(C)=CCC2(O)C1C1c3c(O)cc(C)cc3OC(C)(C)C21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.91

InChIKey:
IBRGELNIDVDXCW-UHFFFAOYSA-N

ID: 127545

SMILES:
C12c3c(O)cc(CCCC)cc3OC(C)(C)C1CCC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.334

InChIKey:
PVONXMJGOLYCMZ-UHFFFAOYSA-N

ID: 127546

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1)CCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.54

InChIKey:
MITUGZXGMOUSCF-UHFFFAOYSA-N

ID: 127547

SMILES:
CC(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 127548

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 440.712

CB1 binding score: -17.334

InChIKey:
SAJONJXCFAUORE-UHFFFAOYSA-N

ID: 127549

SMILES:
C1=C2C(OC1)C(=O)c1c(cc(CCCCC)cc1O)C2(CC=C(CCC=C(CO)C)C)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.929

InChIKey:
IFMOBUXASJBFIJ-UHFFFAOYSA-N

ID: 127550

SMILES:
O1c2c3c(cccc3CCCCC)cc3c2C(C=C(C)C)CC1(C)CC=C(C)CC(CCC(C)C)=C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.768

CB1 binding score: -11.278

InChIKey:
PXRWCARAZDIMKY-UHFFFAOYSA-N

ID: 127551

SMILES:
c1(CCCCC)cc2c(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

ID: 127552

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 127553

SMILES:
c1(CCCC)c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)cc1CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: Not available

InChIKey:
ZWIFNQYAWSEDBR-UHFFFAOYSA-N

ID: 127554

SMILES:
CC1(C)CCCC23c4c(O)cc(CCCCC)cc4OC(C)(C)C2CCC13C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -14.605

InChIKey:
JFJIMXSTIIPLHZ-UHFFFAOYSA-N

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127534–127554 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