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Molecule Identifiers
Molecular Properties

ID: 129760

SMILES:
C1(C)(C)C(CCC2(C)C=Cc3c(C)cc(O)cc3O1)c1c(O)cc(C)cc1O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.484

CB1 binding score: -13.736

InChIKey:
XLEGLGBNWIVYFH-UHFFFAOYSA-N

ID: 129761

SMILES:
C1(C)(C)Oc2c(OC)c(OC)c(CCCCC)cc2CC1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -12.747

InChIKey:
WUQJPENJXVOPBU-UHFFFAOYSA-N

ID: 129762

SMILES:
CC(=CCCC1(C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.62

CB1 binding score: -16.293

InChIKey:
JIHCXELUASXMFT-UHFFFAOYSA-N

ID: 129763

SMILES:
C1(C(=O)O)(C)C2CCC(C)=CC2c2c(c(CCCC=C)cc(O)c2)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -12.539

InChIKey:
CRYUDXJAFMFCDS-UHFFFAOYSA-N

ID: 129764

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1)CCCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.657

CB1 binding score: -15.161

InChIKey:
JAZJVIUMHOFJPP-UHFFFAOYSA-N

ID: 129765

SMILES:
Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.957

InChIKey:
ZSBGNUPOFUYDMQ-UHFFFAOYSA-N

ID: 129766

SMILES:
CC(C)=CCC(C(=CCCC(C)=CCc1cc(O)cc(CCC)c1O)O)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -16.058

InChIKey:
GPSVCEWCLONULE-UHFFFAOYSA-N

ID: 129767

SMILES:
C1(O)C(C)=CC2C(C(C)(C)Oc3cc(C)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.342

InChIKey:
PYHMVTAXZLXDSA-UHFFFAOYSA-N

ID: 129768

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2C(C(=C)C)CCC(C)=C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.929

InChIKey:
OZTGVKJHWRQJAX-UHFFFAOYSA-N

ID: 129769

SMILES:
C1C=C(C)CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.15

InChIKey:
FXRYFSBEEDYORZ-UHFFFAOYSA-N

ID: 129770

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 129771

SMILES:
CC(C1C(c2c(O)ccc(CCCCCCC)c2)CC(C)=CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -15.414

InChIKey:
UAXXZZYCEDJHGW-UHFFFAOYSA-N

ID: 129772

SMILES:
C(OC1C(C)(C)Oc2c(c(OC)c(CCCCC)cc2O)C1CC(OC)=O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.546

CB1 binding score: -15.795

InChIKey:
ZBQFOHXYXSMJEM-UHFFFAOYSA-N

ID: 129773

SMILES:
C(C)CCC(c1cc2c(c(O)c1)C1CC(C(OC)=O)CCC1C(C)=CO2)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.602

InChIKey:
HEIFOVMTLMVYSH-UHFFFAOYSA-N

ID: 129774

SMILES:
CC1(C)C2C=CC(C(O)=O)CC2c2c(cc(C)cc2O)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -13.608

InChIKey:
UKAKYEVYURJTEC-UHFFFAOYSA-N

ID: 129775

SMILES:
Oc1c2c(=O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -15.496

InChIKey:
GOEBTMVGTPUDEH-UHFFFAOYSA-N

ID: 129776

SMILES:
C1C(C(C)=C)CC(OOC(C)(C)C)C2(C)Oc3c(c(O)cc(CO)c3)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -15.773

InChIKey:
VVQMBYJIPDVSFF-UHFFFAOYSA-N

ID: 129777

SMILES:
CC1=CC(O)(CC(=CCc2c(OC)c(O)cc(C)c2O)C)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.519

InChIKey:
YZCFYYGXUIPCNE-UHFFFAOYSA-N

ID: 129778

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.084

InChIKey:
OVUKIUSXPRTQAN-UHFFFAOYSA-N

ID: 129779

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: 129780

SMILES:
C1CC(C)=CC2C(C1)C(C)(C)Oc1cc(O)cc(C)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.462

InChIKey:
XEEWIPMGEDWOJW-UHFFFAOYSA-N

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129760–129780 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