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Molecule Identifiers
Molecular Properties

ID: 130663

SMILES:
c1c(CCCC)cc(O)c(NC(=O)C23CC(O)C(C(C)C)=CC2C3CCC=C(C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 425.613

CB1 binding score: -15.033

InChIKey:
DSDVCOBMKJXYSB-UHFFFAOYSA-N

ID: 130664

SMILES:
C1C(O)C2(C)c3c(O)cc(CCCCC)cc3OC2(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.939

InChIKey:
HVFZLAVGLGJTOD-UHFFFAOYSA-N

ID: 130665

SMILES:
C(Cc1cc(OC)c2c(c1O)OC(C)(C)C1C2CC(C)=CC1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -17.034

InChIKey:
ZEOZUWMUTMYKGU-UHFFFAOYSA-N

ID: 130666

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC1(C)CCCC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.783

InChIKey:
KPTGTVLDBMVBEX-UHFFFAOYSA-N

ID: 130667

SMILES:
CC1(O)CC(OC(=O)c2c(O)cc(CC(CCCCCC)C)cc2O)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -13.366

InChIKey:
ARMYPGAILKFFKD-UHFFFAOYSA-N

ID: 130668

SMILES:
C(C)(c1c2c(c(O)c(C)c1)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -17.457

InChIKey:
HFSUKVSLCLVBEI-UHFFFAOYSA-N

ID: 130669

SMILES:
c1c(C)c(O)c(C(=O)CC(C)C)c2c1C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.478

InChIKey:
DKMMNSCPGUKKIH-UHFFFAOYSA-N

ID: 130670

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130671

SMILES:
C(c1cc(O)cc(CC)c1)C1C=C(C(O)=O)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.749

InChIKey:
RCPKHNRIJNESJW-UHFFFAOYSA-N

ID: 130672

SMILES:
C1=CC2(C)CC3c4c(O)cc(CCCCC)cc4OC(O)(C3(C)C1)C2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -15.982

InChIKey:
JNIAYWUULTYKBZ-UHFFFAOYSA-N

ID: 130673

SMILES:
c1(OC)c2c(cc(CCCCCCCCCC)c1)OC(C)(C)C1C2C=C(CO)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.463

InChIKey:
NJDOQDUNODTTGP-UHFFFAOYSA-N

ID: 130674

SMILES:
c1(C(C)(CC)C)cc(O)c(CC=C(C)C)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -14.589

InChIKey:
QKDKMOGHRPBPFF-UHFFFAOYSA-N

ID: 130675

SMILES:
c1(O)c(CC2C(C(CCC=C(C)C)C(=O)OC)CC=C2C)c(O)cc(CCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -14.663

InChIKey:
PISXVLQPZUYPML-UHFFFAOYSA-N

ID: 130676

SMILES:
c1ccc(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 130677

SMILES:
Oc1c(O)c2c(cc1CC)OC(C)(C)C1(O)CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -14.246

InChIKey:
YVDVFZVYIQHQJF-UHFFFAOYSA-N

ID: 130678

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCCCC)cc2O)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 130679

SMILES:
C1C(C)=CC(c2c(OC)ccc(CCNC)c2)C(C(C)=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 299.458

CB1 binding score: -18.57

InChIKey:
ZKBBKDQCHSPYPC-UHFFFAOYSA-N

ID: 130680

SMILES:
C(CCCc1cc2c(c(O)c1)C1=C(CCC(C)C1=O)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 130681

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)CC=CC(OO)(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.929

InChIKey:
JWSOQWIWNDTQKS-UHFFFAOYSA-N

ID: 130682

SMILES:
c1c(C)cc2c(c1O)C(C)CC=CC(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 232.323

CB1 binding score: -17.77

InChIKey:
WIHPWNOCRJICJO-UHFFFAOYSA-N

ID: 130683

SMILES:
CC1(C)OC1CCC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 400.603

CB1 binding score: -17.033

InChIKey:
JYMMPCDPONMOLD-UHFFFAOYSA-N

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130663–130683 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